N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide

C12H23NO3 — CID 97245059

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H23NO3/c1-9(2)16-8-7-12(15)13-10-5-3-4-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyYWIGJQIXDPSSIL-GHMZBOCLSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide

N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide (PubChem CID 97245059) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
PubChem CID97245059
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H23NO3/c1-9(2)16-8-7-12(15)13-10-5-3-4-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m1/s1
InChIKeyYWIGJQIXDPSSIL-GHMZBOCLSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide 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

N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
CID 97351386
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
CID 86929317
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956768
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide (CID 97245059) is N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide?
The InChIKey is YWIGJQIXDPSSIL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)16-8-7-12(15)13-10-5-3-4-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide has a molecular weight of 229.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 97245059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).