(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride

C15H23ClN2O — CID 119305505

IUPAC(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12(16)15(18)17(11-14-8-5-9-14)10-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,16H2,1H3;1H/t12-;/m0./s1
InChIKeyFRQQHCJNQWAQDO-YDALLXLXSA-N
MW282.81 g/mol
LogP2.58
Rot. Bonds5

About (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride

(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride (PubChem CID 119305505) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
PubChem CID119305505
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12(16)15(18)17(11-14-8-5-9-14)10-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,16H2,1H3;1H/t12-;/m0./s1
InChIKeyFRQQHCJNQWAQDO-YDALLXLXSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
2-amino-N-benzyl-3-methoxy-N-(oxan-4-ylmethyl)propanamide;hydrochloride
CID 120989782
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride (CID 119305505) is (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride is C[C@H](N)C(=O)N(Cc1ccccc1)CC1CCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride?
The InChIKey is FRQQHCJNQWAQDO-YDALLXLXSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12(16)15(18)17(11-14-8-5-9-14)10-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,16H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride?
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119305505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).