4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

C14H29ClN2O2 — CID 120591771

IUPAC4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCCC(C(C)C)C1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-10(2)11-5-4-6-12(7-11)16-14(17)8-13(9-15)18-3;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyKRQZXHIHSAZSGI-UHFFFAOYSA-N
MW292.85 g/mol
LogP2.10
Rot. Bonds6

About 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (PubChem CID 120591771) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
PubChem CID120591771
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCCC(C(C)C)C1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-10(2)11-5-4-6-12(7-11)16-14(17)8-13(9-15)18-3;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyKRQZXHIHSAZSGI-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
CID 120597030
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride
CID 120597502
4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
2-methyl-3-(methylamino)-N-(3-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 119775861

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (CID 120591771) is 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is COC(CN)CC(=O)NC1CCCC(C(C)C)C1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The InChIKey is KRQZXHIHSAZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-10(2)11-5-4-6-12(7-11)16-14(17)8-13(9-15)18-3;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 120591771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).