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

C21H34Cl2N2O — CID 67386599

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

(2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride (PubChem CID 67386599) has the molecular formula C21H34Cl2N2O and a molecular weight of 401.42 g/mol. Its IUPAC name is (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

• Compound Name: (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
• PubChem CID: 67386599
• Molecular Formula: C21H34Cl2N2O
• Molecular Weight: 401.42 g/mol
• Exact Mass: 400.20
• IUPAC Name: (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
• SMILES: CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
• InChI: 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/t15-,18+,19-;/m1./s1
• InChIKey: AREGFJVNEUXHCM-KZXKMFFWSA-N
• XLogP: 5.09
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?

The IUPAC name of (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride (CID 67386599) is (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride.

What is the SMILES notation for (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?

The canonical SMILES for (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride is CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.

What is the InChIKey of (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?

The InChIKey is AREGFJVNEUXHCM-KZXKMFFWSA-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/t15-,18+,19-;/m1./s1.

What are the key properties of (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride?

(2R,3R)-2-amino-N-[(1S)-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 (2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 67386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).