2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide

C16H24N2O2 — CID 112992317

IUPAC2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
SMILESCCC(CC)C(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-13(5-2)16(20)17-11-15(19)18-12(3)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHKTFGYBAIRHWPA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds7

About 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide

2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide (PubChem CID 112992317) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
PubChem CID112992317
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
SMILESCCC(CC)C(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-13(5-2)16(20)17-11-15(19)18-12(3)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyHKTFGYBAIRHWPA-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 94215803
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-amino-N-(1-phenylethyl)acetamide
CID 10631169

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide (CID 112992317) is 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide is CCC(CC)C(=O)NCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
The InChIKey is HKTFGYBAIRHWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-13(5-2)16(20)17-11-15(19)18-12(3)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide is sourced from PubChem (CID 112992317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).