N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide

C23H36N4O3 — CID 146429020

IUPACN-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
SMILESCNc1ccc(CNC(=O)C(NC(=O)C(C)C(OC)C2CCCN2C)C2CC2)cc1
InChIInChI=1S/C23H36N4O3/c1-15(21(30-4)19-6-5-13-27(19)3)22(28)26-20(17-9-10-17)23(29)25-14-16-7-11-18(24-2)12-8-16/h7-8,11-12,15,17,19-21,24H,5-6,9-10,13-14H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyIXZOXVLEVGVZIP-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.98
Rot. Bonds10

About N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide

N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide (PubChem CID 146429020) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
PubChem CID146429020
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
SMILESCNc1ccc(CNC(=O)C(NC(=O)C(C)C(OC)C2CCCN2C)C2CC2)cc1
InChIInChI=1S/C23H36N4O3/c1-15(21(30-4)19-6-5-13-27(19)3)22(28)26-20(17-9-10-17)23(29)25-14-16-7-11-18(24-2)12-8-16/h7-8,11-12,15,17,19-21,24H,5-6,9-10,13-14H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyIXZOXVLEVGVZIP-UHFFFAOYSA-N
XLogP1.98
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide
CID 144871200
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-[[1-[[4-(methylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 139379137
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
tert-butyl (2S)-2-[(1R,2R)-3-[[4-(acetamidomethyl)phenyl]methylsulfonylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 130383678
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-[2-[4-(methylamino)phenyl]ethylamino]-3-oxopropyl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 142857144
(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]-6-phenylhexan-3-one
CID 58340626
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-[2-[4-(methylamino)phenyl]ethylamino]-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 118066566
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
tert-butyl (2S)-2-[(1R,2R)-3-[2-(4-acetylphenyl)ethylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 71171328

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide?
The IUPAC name of N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide (CID 146429020) is N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide?
The canonical SMILES for N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide is CNc1ccc(CNC(=O)C(NC(=O)C(C)C(OC)C2CCCN2C)C2CC2)cc1.
What is the InChIKey of N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide?
The InChIKey is IXZOXVLEVGVZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-15(21(30-4)19-6-5-13-27(19)3)22(28)26-20(17-9-10-17)23(29)25-14-16-7-11-18(24-2)12-8-16/h7-8,11-12,15,17,19-21,24H,5-6,9-10,13-14H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide?
N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide has a molecular weight of 416.57 g/mol, XLogP of 1.98, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]-3-methoxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanamide is sourced from PubChem (CID 146429020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).