N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H22N2O2 — CID 107158766

IUPACN-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)CC(N)CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H22N2O2/c1-10(2)7-12(16)9-17-15(18)14-8-11-5-3-4-6-13(11)19-14/h3-6,10,12,14H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyCEEYACKCCAZHMV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.48
Rot. Bonds5

About N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 107158766) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID107158766
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)CC(N)CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H22N2O2/c1-10(2)7-12(16)9-17-15(18)14-8-11-5-3-4-6-13(11)19-14/h3-6,10,12,14H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyCEEYACKCCAZHMV-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 76953003
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477188
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111478299
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(5-amino-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106141090

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 107158766) is N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)CC(N)CNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CEEYACKCCAZHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)7-12(16)9-17-15(18)14-8-11-5-3-4-6-13(11)19-14/h3-6,10,12,14H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 107158766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).