N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide

C13H25NO2 — CID 86929317

IUPACN-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC1CCCCC1C
InChIInChI=1S/C13H25NO2/c1-10(2)16-9-8-13(15)14-12-7-5-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyQBYKYFLKDCEVOF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide

N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide (PubChem CID 86929317) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
PubChem CID86929317
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC1CCCCC1C
InChIInChI=1S/C13H25NO2/c1-10(2)16-9-8-13(15)14-12-7-5-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyQBYKYFLKDCEVOF-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)butanamide
CID 47005567
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
CID 97351386
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
N-(1-methylpiperidin-4-yl)-3-propan-2-yloxypropanamide
CID 142467334
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide (CID 86929317) is N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide?
The InChIKey is QBYKYFLKDCEVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)16-9-8-13(15)14-12-7-5-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide?
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86929317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).