4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen

C32H36N2O4 — CID 159197699

IUPAC4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen
SMILESCCCN(CC1CC1)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.[H][H]
InChIInChI=1S/C32H34N2O4.H2/c1-3-16-34(19-22-5-6-22)30(35)24-9-7-23(8-10-24)27-18-26(12-4-21(27)2)33-31(36)32(14-15-32)25-11-13-28-29(17-25)38-20-37-28;/h4,7-13,17-18,22H,3,5-6,14-16,19-20H2,1-2H3,(H,33,36);1H
InChIKeyKOWLENURHCIFJV-UHFFFAOYSA-N
MW512.65 g/mol
LogP6.57
Rot. Bonds9

About 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen (PubChem CID 159197699) has the molecular formula C32H36N2O4 and a molecular weight of 512.65 g/mol. Its IUPAC name is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen
PubChem CID159197699
Molecular FormulaC32H36N2O4
Molecular Weight512.65 g/mol
Exact Mass512.27
IUPAC Name4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen
SMILESCCCN(CC1CC1)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.[H][H]
InChIInChI=1S/C32H34N2O4.H2/c1-3-16-34(19-22-5-6-22)30(35)24-9-7-23(8-10-24)27-18-26(12-4-21(27)2)33-31(36)32(14-15-32)25-11-13-28-29(17-25)38-20-37-28;/h4,7-13,17-18,22H,3,5-6,14-16,19-20H2,1-2H3,(H,33,36);1H
InChIKeyKOWLENURHCIFJV-UHFFFAOYSA-N
XLogP6.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-ethylbenzamide
CID 59206879
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
1-(1,3-benzodioxol-5-yl)-N-[3-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 59206850
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[(2-methylbutanoylamino)methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158764288
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-2,3-dihydroxypropyl]benzamide
CID 59206255
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 162112411
5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzene-1,3-dicarboxylic acid;molecular hydrogen
CID 161430344
N-[3-(3-amino-4-methylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159139992
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N-methylbenzamide
CID 59506663
N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]cyclopentanecarboxamide
CID 59206811

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen?
The IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen (CID 159197699) is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen.
What is the SMILES notation for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen?
The canonical SMILES for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen is CCCN(CC1CC1)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.[H][H].
What is the InChIKey of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen?
The InChIKey is KOWLENURHCIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4.H2/c1-3-16-34(19-22-5-6-22)30(35)24-9-7-23(8-10-24)27-18-26(12-4-21(27)2)33-31(36)32(14-15-32)25-11-13-28-29(17-25)38-20-37-28;/h4,7-13,17-18,22H,3,5-6,14-16,19-20H2,1-2H3,(H,33,36);1H.
What are the key properties of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen?
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen has a molecular weight of 512.65 g/mol, XLogP of 6.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(cyclopropylmethyl)-N-propylbenzamide;molecular hydrogen is sourced from PubChem (CID 159197699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).