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

C14H20N2O2 — CID 47205693

IUPACN-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-7-13(17)15-10-14(18)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXOXXHVVILYYIQZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds6

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

N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide (PubChem CID 47205693) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
PubChem CID47205693
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-7-13(17)15-10-14(18)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXOXXHVVILYYIQZ-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 112992317
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
The IUPAC name of N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide (CID 47205693) is N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide.
What is the SMILES notation for N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
The canonical SMILES for N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide is CCCC(=O)NCC(=O)NC(C)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
The InChIKey is XOXXHVVILYYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-7-13(17)15-10-14(18)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide?
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide is sourced from PubChem (CID 47205693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).