(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide

C16H25N3O2 — CID 61153941

IUPAC(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)14(17)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3,(H,18,20)/t12?,14-/m0/s1
InChIKeyKULRCWSAIZYYMV-PYMCNQPYSA-N
MW291.39 g/mol
LogP0.93
Rot. Bonds7

About (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 61153941) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID61153941
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)14(17)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3,(H,18,20)/t12?,14-/m0/s1
InChIKeyKULRCWSAIZYYMV-PYMCNQPYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
CID 59684100
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide (CID 61153941) is (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide is CCN(CC)C(=O)C(C)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is KULRCWSAIZYYMV-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)14(17)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3,(H,18,20)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 61153941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).