(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride

C18H29ClN2O — CID 119821689

IUPAC(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(2)11-16(19)17(21)20-13-18(9-6-10-18)12-15-7-4-3-5-8-15;/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,21);1H/t16-;/m0./s1
InChIKeyDLBSIITUMDOIPP-NTISSMGPSA-N
MW324.90 g/mol
LogP3.31
Rot. Bonds7

About (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride (PubChem CID 119821689) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
PubChem CID119821689
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(2)11-16(19)17(21)20-13-18(9-6-10-18)12-15-7-4-3-5-8-15;/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,21);1H/t16-;/m0./s1
InChIKeyDLBSIITUMDOIPP-NTISSMGPSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119345260
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820408
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylpentanamide;hydrochloride
CID 119812150
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride (CID 119821689) is (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride?
The InChIKey is DLBSIITUMDOIPP-NTISSMGPSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14(2)11-16(19)17(21)20-13-18(9-6-10-18)12-15-7-4-3-5-8-15;/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,21);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119821689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).