N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide

C11H21NO2 — CID 139373494

IUPACN-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)11(13)12-9-5-4-6-10(7-9)14-3/h8-10H,4-7H2,1-3H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyZQQZYPRFVXKPMN-NXEZZACHSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide

N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide (PubChem CID 139373494) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide
PubChem CID139373494
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)11(13)12-9-5-4-6-10(7-9)14-3/h8-10H,4-7H2,1-3H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyZQQZYPRFVXKPMN-NXEZZACHSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride
CID 131042164
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate
CID 95298268
methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate
CID 99955390
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
2-(3-methoxycyclohexyl)propanoic acid
CID 79418099
N,N-diethyl-2-[(3-methoxycyclohexyl)amino]propanamide
CID 112703045
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-[(1S,3R)-3-hydroxycyclopentyl]-2-methylpropanamide;N-[(1R,3S)-3-hydroxycyclopentyl]-2-methylpropanamide;N-(3-hydroxycyclopentyl)-2-methylpropanamide;N-[(1R,3R)-3-methoxycyclopentyl]-2,2-dimethylpropanamide;N-[(1S,3S)-3-methoxycyclopentyl]-2-methylpropanamide;N-(3-methoxycyclopentyl)-2-methylpropanamide;N-[(1R,2R)-2-methoxycyclopropyl]-2,2-dimethylpropanamide;N-[(1S,2S)-2-methoxycyclopropyl]-2-methylpropanamide;N-(2-methoxycyclopropyl)-2-methylpropanamide
CID 159409105

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide (CID 139373494) is N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide is CO[C@@H]1CCC[C@@H](NC(=O)C(C)C)C1.
What is the InChIKey of N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide?
The InChIKey is ZQQZYPRFVXKPMN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(13)12-9-5-4-6-10(7-9)14-3/h8-10H,4-7H2,1-3H3,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide?
N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 139373494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).