N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C16H23NO3 — CID 107300275

IUPACN-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(O)CCCNC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H23NO3/c1-10(18)6-5-9-17-16(19)14-8-4-7-13-11(2)12(3)20-15(13)14/h4,7-8,10-12,18H,5-6,9H2,1-3H3,(H,17,19)
InChIKeyGKMSRSUPCUURNY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.46
Rot. Bonds5

About N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 107300275) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID107300275
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(O)CCCNC(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H23NO3/c1-10(18)6-5-9-17-16(19)14-8-4-7-13-11(2)12(3)20-15(13)14/h4,7-8,10-12,18H,5-6,9H2,1-3H3,(H,17,19)
InChIKeyGKMSRSUPCUURNY-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-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

(2S)-4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834347
N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 103877084
N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 115691489
2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18097619
2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18097983
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 45353889
(2S,3S)-N-[(1S)-1-cyclopropylethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 51672674
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18143854
2,3-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 24535734
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 107300275) is N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC(O)CCCNC(=O)c1cccc2c1OC(C)C2C.
What is the InChIKey of N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is GKMSRSUPCUURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(18)6-5-9-17-16(19)14-8-4-7-13-11(2)12(3)20-15(13)14/h4,7-8,10-12,18H,5-6,9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 107300275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).