2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide

C14H20N2O2 — CID 113357367

IUPAC2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C14H20N2O2/c1-3-6-14(2,15)13(17)16-12-5-4-10-8-18-9-11(10)7-12/h4-5,7H,3,6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyOKBSVWACLIQDCS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide

2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide (PubChem CID 113357367) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
PubChem CID113357367
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C14H20N2O2/c1-3-6-14(2,15)13(17)16-12-5-4-10-8-18-9-11(10)7-12/h4-5,7H,3,6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyOKBSVWACLIQDCS-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide 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

4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide (CID 113357367) is 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide?
The InChIKey is OKBSVWACLIQDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-6-14(2,15)13(17)16-12-5-4-10-8-18-9-11(10)7-12/h4-5,7H,3,6,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide?
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide has a molecular weight of 248.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide is sourced from PubChem (CID 113357367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).