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

C21H34Cl2N2O — CID 67385551

IUPAC2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C21H33ClN2O.ClH/c1-5-15(4)19(23)20(25)24-18(13-14(2)3)21(11-6-12-21)16-7-9-17(22)10-8-16;/h7-10,14-15,18-19H,5-6,11-13,23H2,1-4H3,(H,24,25);1H
InChIKeyAREGFJVNEUXHCM-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.09
Rot. Bonds8

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

2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride (PubChem CID 67385551) has the molecular formula C21H34Cl2N2O and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
PubChem CID67385551
Molecular FormulaC21H34Cl2N2O
Molecular Weight401.42 g/mol
Exact Mass400.20
IUPAC Name2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C21H33ClN2O.ClH/c1-5-15(4)19(23)20(25)24-18(13-14(2)3)21(11-6-12-21)16-7-9-17(22)10-8-16;/h7-10,14-15,18-19H,5-6,11-13,23H2,1-4H3,(H,24,25);1H
InChIKeyAREGFJVNEUXHCM-UHFFFAOYSA-N
XLogP5.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
CID 67386599
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride
CID 46196257
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-(1H-imidazol-5-yl)propanamide
CID 46196281
ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate
CID 25050587
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl 2-methylpropanoate
CID 56596094
1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane
CID 142145945
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
CID 43704019
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
CID 59908351

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride (CID 67385551) is 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?
The InChIKey is AREGFJVNEUXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O.ClH/c1-5-15(4)19(23)20(25)24-18(13-14(2)3)21(11-6-12-21)16-7-9-17(22)10-8-16;/h7-10,14-15,18-19H,5-6,11-13,23H2,1-4H3,(H,24,25);1H.
What are the key properties of 2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride has a molecular weight of 401.42 g/mol, XLogP of 5.09, 8 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]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 67385551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).