N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide

C17H26N2O2 — CID 78789416

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC)CC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-5-15(14-10-8-7-9-11-14)17(21)19(6-2)12-16(20)18-13(3)4/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,20)
InChIKeyAJGVNAXJKRREKC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds7

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide (PubChem CID 78789416) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
PubChem CID78789416
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CC)CC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-5-15(14-10-8-7-9-11-14)17(21)19(6-2)12-16(20)18-13(3)4/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,20)
InChIKeyAJGVNAXJKRREKC-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 51156967
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230002
(2S)-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7361613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide (CID 78789416) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide is CCC(C(=O)N(CC)CC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide?
The InChIKey is AJGVNAXJKRREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-15(14-10-8-7-9-11-14)17(21)19(6-2)12-16(20)18-13(3)4/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,20).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 78789416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).