(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide

C17H26N2O — CID 107398372

IUPAC(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
SMILESCCN(CC1CCC1)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-19(13-15-9-6-10-15)17(20)16(18)12-11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3/t16-/m0/s1
InChIKeyIQFQJEZXOFXUOL-INIZCTEOSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds7

About (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide

(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide (PubChem CID 107398372) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
PubChem CID107398372
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
SMILESCCN(CC1CCC1)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-19(13-15-9-6-10-15)17(20)16(18)12-11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3/t16-/m0/s1
InChIKeyIQFQJEZXOFXUOL-INIZCTEOSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-amino-N-(cyclobutylmethyl)-N-ethyl-4-methoxybutanamide
CID 107398526
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide (CID 107398372) is (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide is CCN(CC1CCC1)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide?
The InChIKey is IQFQJEZXOFXUOL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19(13-15-9-6-10-15)17(20)16(18)12-11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide?
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide is sourced from PubChem (CID 107398372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).