1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide

C30H32N2O4 — CID 59206480

IUPAC1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)C(=O)C(C)C)cc1
InChIInChI=1S/C30H32N2O4/c1-19(2)28(33)32(4)17-21-6-8-22(9-7-21)25-16-24(11-5-20(25)3)31-29(34)30(13-14-30)23-10-12-26-27(15-23)36-18-35-26/h5-12,15-16,19H,13-14,17-18H2,1-4H3,(H,31,34)
InChIKeyGJBLDBIYNRKFLC-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.68
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 59206480) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID59206480
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)C(=O)C(C)C)cc1
InChIInChI=1S/C30H32N2O4/c1-19(2)28(33)32(4)17-21-6-8-22(9-7-21)25-16-24(11-5-20(25)3)31-29(34)30(13-14-30)23-10-12-26-27(15-23)36-18-35-26/h5-12,15-16,19H,13-14,17-18H2,1-4H3,(H,31,34)
InChIKeyGJBLDBIYNRKFLC-UHFFFAOYSA-N
XLogP5.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide 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

1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[2,2-dimethylpropanoyl(methyl)amino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157179186
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(methylsulfonyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159855045
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[(2-methylpropylamino)methyl]phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206288
1-(1,3-benzodioxol-5-yl)-N-[3-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
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-[4-[(2-methylbutanoylamino)methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158764288
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2-ethylbutylamino)methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206079
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-ethylbenzamide
CID 59206879
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206514
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206683

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide (CID 59206480) is 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)C(=O)C(C)C)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is GJBLDBIYNRKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-19(2)28(33)32(4)17-21-6-8-22(9-7-21)25-16-24(11-5-20(25)3)31-29(34)30(13-14-30)23-10-12-26-27(15-23)36-18-35-26/h5-12,15-16,19H,13-14,17-18H2,1-4H3,(H,31,34).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).