3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride

C16H25ClN2O2 — CID 119817851

IUPAC3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride
SMILESCOC1CC(NC(=O)C(CN)c2ccccc2)C1(C)C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2)13(9-14(16)20-3)18-15(19)12(10-17)11-7-5-4-6-8-11;/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyPFOGUMLPFNEDBN-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride

3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride (PubChem CID 119817851) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride
PubChem CID119817851
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride
SMILESCOC1CC(NC(=O)C(CN)c2ccccc2)C1(C)C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2)13(9-14(16)20-3)18-15(19)12(10-17)11-7-5-4-6-8-11;/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19);1H
InChIKeyPFOGUMLPFNEDBN-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343152
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669141
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821917
3-amino-N-(2-ethylcyclopropyl)-2-phenylpropanamide
CID 103811259
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
2-(4-aminophenyl)-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812779
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122005755
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride (CID 119817851) is 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride is COC1CC(NC(=O)C(CN)c2ccccc2)C1(C)C.Cl.
What is the InChIKey of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is PFOGUMLPFNEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2)13(9-14(16)20-3)18-15(19)12(10-17)11-7-5-4-6-8-11;/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride?
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119817851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).