2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide

C17H26N2O — CID 119305518

IUPAC2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C17H26N2O/c1-2-7-16(18)17(20)19(13-15-10-6-11-15)12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,18H2,1H3
InChIKeyGDJHNVQKENSMBA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds7

About 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide

2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide (PubChem CID 119305518) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
PubChem CID119305518
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C17H26N2O/c1-2-7-16(18)17(20)19(13-15-10-6-11-15)12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,18H2,1H3
InChIKeyGDJHNVQKENSMBA-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2-amino-N-benzyl-3-methoxy-N-(oxan-4-ylmethyl)propanamide;hydrochloride
CID 120989782
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
CID 175596193

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide?
The IUPAC name of 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide (CID 119305518) is 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide is CCCC(N)C(=O)N(Cc1ccccc1)CC1CCC1.
What is the InChIKey of 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide?
The InChIKey is GDJHNVQKENSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-7-16(18)17(20)19(13-15-10-6-11-15)12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,18H2,1H3.
What are the key properties of 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide?
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide is sourced from PubChem (CID 119305518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).