N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

C24H31N3O3 — CID 55862256

IUPACN-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(OCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)ccc1C(C)C
InChIInChI=1S/C24H31N3O3/c1-17(2)22-10-9-21(13-18(22)3)30-16-23(28)25-15-19-7-6-8-20(14-19)26-24(29)27-11-4-5-12-27/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKPWWZEGSSCKZPW-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.44
Rot. Bonds7

About N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55862256) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID55862256
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(OCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)ccc1C(C)C
InChIInChI=1S/C24H31N3O3/c1-17(2)22-10-9-21(13-18(22)3)30-16-23(28)25-15-19-7-6-8-20(14-19)26-24(29)27-11-4-5-12-27/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKPWWZEGSSCKZPW-UHFFFAOYSA-N
XLogP4.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060202
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-[3-[[4-(methylamino)butanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743696
N-[3-[[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 51965397
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619635
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 55862256) is N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is Cc1cc(OCC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)ccc1C(C)C.
What is the InChIKey of N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KPWWZEGSSCKZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)22-10-9-21(13-18(22)3)30-16-23(28)25-15-19-7-6-8-20(14-19)26-24(29)27-11-4-5-12-27/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55862256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).