2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide

C18H19NO3 — CID 110443986

IUPAC2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C18H19NO3/c1-21-14-9-6-10-15(22-2)16(14)17(20)19-18(11-12-18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyWKYLZFCWJLRTFL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.12
Rot. Bonds5

About 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide

2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide (PubChem CID 110443986) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
PubChem CID110443986
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C18H19NO3/c1-21-14-9-6-10-15(22-2)16(14)17(20)19-18(11-12-18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyWKYLZFCWJLRTFL-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 91837557
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
N-(1-phenylcyclopropyl)propanamide
CID 110441332
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
CID 131908378
2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
CID 166186485

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide (CID 110443986) is 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide is COc1cccc(OC)c1C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is WKYLZFCWJLRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-14-9-6-10-15(22-2)16(14)17(20)19-18(11-12-18)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide?
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 110443986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).