N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide

C15H17NO4 — CID 121132736

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(O)c2ccoc2)c1
InChIInChI=1S/C15H17NO4/c1-19-13-4-2-3-11(9-13)15(18)16-7-5-14(17)12-6-8-20-10-12/h2-4,6,8-10,14,17H,5,7H2,1H3,(H,16,18)
InChIKeyGHBUAMJMLZHPBE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.14
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide (PubChem CID 121132736) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
PubChem CID121132736
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(O)c2ccoc2)c1
InChIInChI=1S/C15H17NO4/c1-19-13-4-2-3-11(9-13)15(18)16-7-5-14(17)12-6-8-20-10-12/h2-4,6,8-10,14,17H,5,7H2,1H3,(H,16,18)
InChIKeyGHBUAMJMLZHPBE-UHFFFAOYSA-N
XLogP2.14
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
CID 124875456
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
3-methoxy-N-tridecylbenzamide
CID 139819898

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide (CID 121132736) is N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC(O)c2ccoc2)c1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide?
The InChIKey is GHBUAMJMLZHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-13-4-2-3-11(9-13)15(18)16-7-5-14(17)12-6-8-20-10-12/h2-4,6,8-10,14,17H,5,7H2,1H3,(H,16,18).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide has a molecular weight of 275.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide is sourced from PubChem (CID 121132736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).