3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide

C20H19NO2 — CID 16602422

IUPAC3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2(c3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C20H19NO2/c1-14-16-9-5-6-10-17(16)23-18(14)19(22)21-13-20(11-12-20)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyCSHGNYWUYOJIGT-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.20
Rot. Bonds4

About 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide

3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 16602422) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID16602422
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2(c3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C20H19NO2/c1-14-16-9-5-6-10-17(16)23-18(14)19(22)21-13-20(11-12-20)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyCSHGNYWUYOJIGT-UHFFFAOYSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115878297
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351135
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide (CID 16602422) is 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC2(c3ccccc3)CC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is CSHGNYWUYOJIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-16-9-5-6-10-17(16)23-18(14)19(22)21-13-20(11-12-20)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,22).
What are the key properties of 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16602422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).