2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride

C15H31ClN2O2 — CID 120983922

IUPAC2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
SMILESCCC(C)(C)C1CCC(NC(=O)C(N)COC)CC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-5-15(2,3)11-6-8-12(9-7-11)17-14(18)13(16)10-19-4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H
InChIKeySSCWMNBBPWWQDB-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride (PubChem CID 120983922) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
PubChem CID120983922
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Name2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
SMILESCCC(C)(C)C1CCC(NC(=O)C(N)COC)CC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-5-15(2,3)11-6-8-12(9-7-11)17-14(18)13(16)10-19-4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H
InChIKeySSCWMNBBPWWQDB-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-amino-3-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114546127
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
2-amino-N-(3-ethylcyclohexyl)-3-methoxypropanamide;hydrochloride
CID 120990597
N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
CID 115574010
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride (CID 120983922) is 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride is CCC(C)(C)C1CCC(NC(=O)C(N)COC)CC1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
The InChIKey is SSCWMNBBPWWQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-5-15(2,3)11-6-8-12(9-7-11)17-14(18)13(16)10-19-4;/h11-13H,5-10,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride is sourced from PubChem (CID 120983922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).