2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide

C16H25N3O2 — CID 60937764

IUPAC2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(11-15(20)18-12(2)3)16(21)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3,(H,18,20)
InChIKeyRVZNFJYLDNKGHK-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.93
Rot. Bonds7

About 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide

2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide (PubChem CID 60937764) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
PubChem CID60937764
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-4-19(11-15(20)18-12(2)3)16(21)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3,(H,18,20)
InChIKeyRVZNFJYLDNKGHK-UHFFFAOYSA-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-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 51156967
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide (CID 60937764) is 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide is CCN(CC(=O)NC(C)C)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide?
The InChIKey is RVZNFJYLDNKGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(11-15(20)18-12(2)3)16(21)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide?
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-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 2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 60937764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).