3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride

C17H27ClN2O — CID 120502353

IUPAC3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCC1(Cc2ccccc2)CCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(14(2)18)16(20)19-12-17(9-6-10-17)11-15-7-4-3-5-8-15;/h3-5,7-8,13-14H,6,9-12,18H2,1-2H3,(H,19,20);1H
InChIKeyZMPQJJOHWGUCTO-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride

3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride (PubChem CID 120502353) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
PubChem CID120502353
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCC1(Cc2ccccc2)CCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(14(2)18)16(20)19-12-17(9-6-10-17)11-15-7-4-3-5-8-15;/h3-5,7-8,13-14H,6,9-12,18H2,1-2H3,(H,19,20);1H
InChIKeyZMPQJJOHWGUCTO-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119345260
3-amino-2-methyl-3-phenyl-N-[(1-propylcyclobutyl)methyl]propanamide;hydrochloride
CID 119821711
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119820368
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
CID 110013379
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride (CID 120502353) is 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)NCC1(Cc2ccccc2)CCC1.Cl.
What is the InChIKey of 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride?
The InChIKey is ZMPQJJOHWGUCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(14(2)18)16(20)19-12-17(9-6-10-17)11-15-7-4-3-5-8-15;/h3-5,7-8,13-14H,6,9-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120502353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).