N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide

C34H32N2O4 — CID 3698096

IUPACN-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc(-c2ccc(NC(=O)C3CC3c3ccccc3)c(OC)c2)ccc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C34H32N2O4/c1-39-31-17-23(13-15-29(31)35-33(37)27-19-25(27)21-9-5-3-6-10-21)24-14-16-30(32(18-24)40-2)36-34(38)28-20-26(28)22-11-7-4-8-12-22/h3-18,25-28H,19-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyUAWREJIOPFIRQK-UHFFFAOYSA-N
MW532.64 g/mol
LogP6.86
Rot. Bonds9

About N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide

N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 3698096) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID3698096
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC NameN-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc(-c2ccc(NC(=O)C3CC3c3ccccc3)c(OC)c2)ccc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C34H32N2O4/c1-39-31-17-23(13-15-29(31)35-33(37)27-19-25(27)21-9-5-3-6-10-21)24-14-16-30(32(18-24)40-2)36-34(38)28-20-26(28)22-11-7-4-8-12-22/h3-18,25-28H,19-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyUAWREJIOPFIRQK-UHFFFAOYSA-N
XLogP6.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
1-(2-methoxy-4-nitrophenyl)-3-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]thiourea
CID 40655251
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
(3R,4S)-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylpyrrolidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117075305
dimethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzene-1,4-dicarboxylate
CID 1010270
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 2933931

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide (CID 3698096) is N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide is COc1cc(-c2ccc(NC(=O)C3CC3c3ccccc3)c(OC)c2)ccc1NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is UAWREJIOPFIRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-39-31-17-23(13-15-29(31)35-33(37)27-19-25(27)21-9-5-3-6-10-21)24-14-16-30(32(18-24)40-2)36-34(38)28-20-26(28)22-11-7-4-8-12-22/h3-18,25-28H,19-20H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 6.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3698096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).