2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride

C18H28Cl2N2O — CID 46196257

IUPAC2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride
SMILESCC(C)CC(NC(=O)C(C)N)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-12(2)11-16(21-17(22)13(3)20)18(9-4-10-18)14-5-7-15(19)8-6-14;/h5-8,12-13,16H,4,9-11,20H2,1-3H3,(H,21,22);1H
InChIKeyWXHDFLZGJPQRSV-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.06
Rot. Bonds6

About 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride

2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride (PubChem CID 46196257) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride
PubChem CID46196257
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC Name2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride
SMILESCC(C)CC(NC(=O)C(C)N)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-12(2)11-16(21-17(22)13(3)20)18(9-4-10-18)14-5-7-15(19)8-6-14;/h5-8,12-13,16H,4,9-11,20H2,1-3H3,(H,21,22);1H
InChIKeyWXHDFLZGJPQRSV-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride (CID 46196257) is 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride is CC(C)CC(NC(=O)C(C)N)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride?
The InChIKey is WXHDFLZGJPQRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O.ClH/c1-12(2)11-16(21-17(22)13(3)20)18(9-4-10-18)14-5-7-15(19)8-6-14;/h5-8,12-13,16H,4,9-11,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride?
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride has a molecular weight of 359.34 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride is sourced from PubChem (CID 46196257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).