3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide

C14H21NO3 — CID 64928523

IUPAC3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCc1ccco1)NCC1CCCCC1O
InChIInChI=1S/C14H21NO3/c16-13-6-2-1-4-11(13)10-15-14(17)8-7-12-5-3-9-18-12/h3,5,9,11,13,16H,1-2,4,6-8,10H2,(H,15,17)
InChIKeyPHGVZZRXHGKZQQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds5

About 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide

3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64928523) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
PubChem CID64928523
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCc1ccco1)NCC1CCCCC1O
InChIInChI=1S/C14H21NO3/c16-13-6-2-1-4-11(13)10-15-14(17)8-7-12-5-3-9-18-12/h3,5,9,11,13,16H,1-2,4,6-8,10H2,(H,15,17)
InChIKeyPHGVZZRXHGKZQQ-UHFFFAOYSA-N
XLogP1.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
3-(furan-2-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propanamide
CID 129000871
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176
N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579
2-(furan-2-ylmethyl)cycloheptan-1-ol
CID 62999043
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
CID 103762487
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide (CID 64928523) is 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide is O=C(CCc1ccco1)NCC1CCCCC1O.
What is the InChIKey of 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is PHGVZZRXHGKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-13-6-2-1-4-11(13)10-15-14(17)8-7-12-5-3-9-18-12/h3,5,9,11,13,16H,1-2,4,6-8,10H2,(H,15,17).
What are the key properties of 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64928523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).