N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C20H24N2O2 — CID 95055102

IUPACN-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc2c(c1)COC2)Nc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)19(22-18-6-4-3-5-7-18)11-21-20(23)15-8-9-16-12-24-13-17(16)10-15/h3-10,14,19,22H,11-13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyCHBGSNFNONEVHH-LJQANCHMSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds6

About N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 95055102) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID95055102
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(C)[C@@H](CNC(=O)c1ccc2c(c1)COC2)Nc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)19(22-18-6-4-3-5-7-18)11-21-20(23)15-8-9-16-12-24-13-17(16)10-15/h3-10,14,19,22H,11-13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyCHBGSNFNONEVHH-LJQANCHMSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-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

3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378
N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 55535044
N-(2-anilino-3-methylbutyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55535889
N-(4-bromobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106846002
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 95055102) is N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC(C)[C@@H](CNC(=O)c1ccc2c(c1)COC2)Nc1ccccc1.
What is the InChIKey of N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is CHBGSNFNONEVHH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)19(22-18-6-4-3-5-7-18)11-21-20(23)15-8-9-16-12-24-13-17(16)10-15/h3-10,14,19,22H,11-13H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 95055102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).