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

C15H27NO3 — CID 64911137

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCC1CCCCC1O
InChIInChI=1S/C15H27NO3/c17-14-7-2-1-5-12(14)11-16-15(18)9-8-13-6-3-4-10-19-13/h12-14,17H,1-11H2,(H,16,18)
InChIKeyLNMANIOQISHQPM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.00
Rot. Bonds5

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

N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide (PubChem CID 64911137) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
PubChem CID64911137
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCC1CCCCC1O
InChIInChI=1S/C15H27NO3/c17-14-7-2-1-5-12(14)11-16-15(18)9-8-13-6-3-4-10-19-13/h12-14,17H,1-11H2,(H,16,18)
InChIKeyLNMANIOQISHQPM-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 110025016
N-[(4-methylpiperidin-3-yl)methyl]-3-(oxan-2-yl)propanamide
CID 114955758
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(oxan-2-yl)propanamide
CID 103800478
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide (CID 64911137) is N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
The InChIKey is LNMANIOQISHQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14-7-2-1-5-12(14)11-16-15(18)9-8-13-6-3-4-10-19-13/h12-14,17H,1-11H2,(H,16,18).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide has a molecular weight of 269.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 64911137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).