2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide

C13H25NO — CID 95568853

IUPAC2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
SMILESCCC[C@H]1CCCC[C@H]1NC(=O)C(C)C
InChIInChI=1S/C13H25NO/c1-4-7-11-8-5-6-9-12(11)14-13(15)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyAXBSWIJASGGMPT-NWDGAFQWSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide

2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide (PubChem CID 95568853) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
PubChem CID95568853
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
SMILESCCC[C@H]1CCCC[C@H]1NC(=O)C(C)C
InChIInChI=1S/C13H25NO/c1-4-7-11-8-5-6-9-12(11)14-13(15)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyAXBSWIJASGGMPT-NWDGAFQWSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-ethoxy-N-[(1R,2R)-2-propylcyclohexyl]propanamide
CID 97027372
(2S)-2-ethoxy-N-[(1S,2R)-2-propylcyclohexyl]propanamide
CID 124743400
N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
CID 106366671
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-propylcyclohexyl]cyclopropane-1-carboxamide
CID 124840040
1-methoxy-3-[(1S,2R)-2-propylcyclohexyl]urea
CID 97027382
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
(2-butylcyclopentyl)carbamic acid
CID 142463044
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide (CID 95568853) is 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide is CCC[C@H]1CCCC[C@H]1NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide?
The InChIKey is AXBSWIJASGGMPT-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-11-8-5-6-9-12(11)14-13(15)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide?
2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide is sourced from PubChem (CID 95568853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).