N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide

C18H19NO3 — CID 2931417

IUPACN-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2c2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-21-13-8-9-17(22-2)16(10-13)19-18(20)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15H,11H2,1-2H3,(H,19,20)
InChIKeyAWUCUTCJQFHWTG-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.45
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide

N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2931417) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2931417
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2c2ccccc2)c1
InChIInChI=1S/C18H19NO3/c1-21-13-8-9-17(22-2)16(10-13)19-18(20)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15H,11H2,1-2H3,(H,19,20)
InChIKeyAWUCUTCJQFHWTG-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 2862625
Fast Blue RR
CID 93116
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
N-(2,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 531888
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
N-(3-methoxyphenyl)-2-phenylbenzamide
CID 976228
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276
N-(3-methoxyphenyl)-2-phenylacetamide
CID 795356
N-(2,5-dimethoxyphenyl)-4-methylbenzamide
CID 531831
2-Bromo-N-(2,5-dimethoxyphenyl)benzamide
CID 532190

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide (CID 2931417) is N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(OC)c(NC(=O)C2CC2c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is AWUCUTCJQFHWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-13-8-9-17(22-2)16(10-13)19-18(20)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2931417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).