N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine

C37H66N10O5 — CID 153347155

IUPACN-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine
SMILESCC.CC(N)C=O.CNC.COc1ccc(CC2CC(C(=O)NCc3ccc(N(C)N)c(N)c3)N(C)C2)cc1.NC(C=O)CNC(=O)N1CCCC1
InChIInChI=1S/C22H31N5O2.C8H15N3O2.C3H7NO.C2H7N.C2H6/c1-26-14-17(10-15-4-7-18(29-3)8-5-15)12-21(26)22(28)25-13-16-6-9-20(27(2)24)19(23)11-16;9-7(6-12)5-10-8(13)11-3-1-2-4-11;1-3(4)2-5;1-3-2;1-2/h4-9,11,17,21H,10,12-14,23-24H2,1-3H3,(H,25,28);6-7H,1-5,9H2,(H,10,13);2-3H,4H2,1H3;3H,1-2H3;1-2H3
InChIKeyHNKZREVRGRGFCX-UHFFFAOYSA-N
MW731.00 g/mol
LogP1.48
Rot. Bonds11

About N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine

N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine (PubChem CID 153347155) has the molecular formula C37H66N10O5 and a molecular weight of 731.00 g/mol. Its IUPAC name is N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine
PubChem CID153347155
Molecular FormulaC37H66N10O5
Molecular Weight731.00 g/mol
Exact Mass730.52
IUPAC NameN-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine
SMILESCC.CC(N)C=O.CNC.COc1ccc(CC2CC(C(=O)NCc3ccc(N(C)N)c(N)c3)N(C)C2)cc1.NC(C=O)CNC(=O)N1CCCC1
InChIInChI=1S/C22H31N5O2.C8H15N3O2.C3H7NO.C2H7N.C2H6/c1-26-14-17(10-15-4-7-18(29-3)8-5-15)12-21(26)22(28)25-13-16-6-9-20(27(2)24)19(23)11-16;9-7(6-12)5-10-8(13)11-3-1-2-4-11;1-3(4)2-5;1-3-2;1-2/h4-9,11,17,21H,10,12-14,23-24H2,1-3H3,(H,25,28);6-7H,1-5,9H2,(H,10,13);2-3H,4H2,1H3;3H,1-2H3;1-2H3
InChIKeyHNKZREVRGRGFCX-UHFFFAOYSA-N
XLogP1.48
TPSA227.40 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.00
LogP ≤ 51.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 153347157
1-(2-amino-4-methyl-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163386
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
N-[2-amino-3-[4-[(4-methoxyphenyl)methyl]-2-[(1-methylbenzotriazol-5-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-oxopropyl]-2-methylpiperazine-1-carboxamide
CID 165163471
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
(4R)-5-[(2S,4R)-2-[[3-amino-4-(methylamino)phenyl]methylcarbamoyl]-4-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 153347236
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956
1-[2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163646
(2S,4R)-1-[(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 167175911

Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine?
The IUPAC name of N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine (CID 153347155) is N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine.
What is the SMILES notation for N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine?
The canonical SMILES for N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine is CC.CC(N)C=O.CNC.COc1ccc(CC2CC(C(=O)NCc3ccc(N(C)N)c(N)c3)N(C)C2)cc1.NC(C=O)CNC(=O)N1CCCC1.
What is the InChIKey of N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine?
The InChIKey is HNKZREVRGRGFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.C8H15N3O2.C3H7NO.C2H7N.C2H6/c1-26-14-17(10-15-4-7-18(29-3)8-5-15)12-21(26)22(28)25-13-16-6-9-20(27(2)24)19(23)11-16;9-7(6-12)5-10-8(13)11-3-1-2-4-11;1-3(4)2-5;1-3-2;1-2/h4-9,11,17,21H,10,12-14,23-24H2,1-3H3,(H,25,28);6-7H,1-5,9H2,(H,10,13);2-3H,4H2,1H3;3H,1-2H3;1-2H3.
What are the key properties of N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine?
N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine has a molecular weight of 731.00 g/mol, XLogP of 1.48, 11 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-4-[amino(methyl)amino]phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide;N-(2-amino-3-oxopropyl)pyrrolidine-1-carboxamide;2-aminopropanal;ethane;N-methylmethanamine is sourced from PubChem (CID 153347155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).