N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide

C32H28N2O4 — CID 25152868

IUPACN-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C32H28N2O4/c1-21-7-13-26(34-31(36)32(15-16-32)25-12-14-28-29(17-25)38-20-37-28)18-27(21)23-10-8-22(9-11-23)19-33-30(35)24-5-3-2-4-6-24/h2-14,17-18H,15-16,19-20H2,1H3,(H,33,35)(H,34,36)
InChIKeyGIKJTHLXHQHJCU-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.99
Rot. Bonds7

About N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide

N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide (PubChem CID 25152868) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide
PubChem CID25152868
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC NameN-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C32H28N2O4/c1-21-7-13-26(34-31(36)32(15-16-32)25-12-14-28-29(17-25)38-20-37-28)18-27(21)23-10-8-22(9-11-23)19-33-30(35)24-5-3-2-4-6-24/h2-14,17-18H,15-16,19-20H2,1H3,(H,33,35)(H,34,36)
InChIKeyGIKJTHLXHQHJCU-UHFFFAOYSA-N
XLogP5.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide with MolForge

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Related Compounds

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-ethylbenzamide
CID 59206879
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]-N-[(2R)-2-hydroxypropyl]benzamide
CID 59206850
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-2,3-dihydroxypropyl]benzamide
CID 59206255
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]cyclopentanecarboxamide
CID 59206811
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-[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
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;molecular hydrogen
CID 160512375
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2-ethylbutylamino)methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206079
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide (CID 25152868) is N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide?
The InChIKey is GIKJTHLXHQHJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4/c1-21-7-13-26(34-31(36)32(15-16-32)25-12-14-28-29(17-25)38-20-37-28)18-27(21)23-10-8-22(9-11-23)19-33-30(35)24-5-3-2-4-6-24/h2-14,17-18H,15-16,19-20H2,1H3,(H,33,35)(H,34,36).
What are the key properties of N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide?
N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide has a molecular weight of 504.59 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide is sourced from PubChem (CID 25152868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).