N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide

C16H24N2O2 — CID 110287066

IUPACN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
SMILESCCCC(=O)N[C@H](C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-10-14(19)17-15(13-11-8-7-9-12-13)16(20)18(5-2)6-3/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyZFIQCJQNJSKPLM-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.51
Rot. Bonds7

About N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide

N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide (PubChem CID 110287066) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
PubChem CID110287066
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
SMILESCCCC(=O)N[C@H](C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-10-14(19)17-15(13-11-8-7-9-12-13)16(20)18(5-2)6-3/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyZFIQCJQNJSKPLM-HNNXBMFYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
ethyl 2-[[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoacetate
CID 110287113
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
2-cyclopropyl-N-[2-(diethylamino)-2-oxo-1-phenylethyl]propanamide
CID 110626255
(2S)-N,N-diethyl-2-(methanesulfonamido)-2-phenylacetamide
CID 110287123
ethyl 4-(butanoylamino)-3-oxo-4-phenylbutanoate
CID 102588141
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
CID 58263305
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide (CID 110287066) is N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide is CCCC(=O)N[C@H](C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide?
The InChIKey is ZFIQCJQNJSKPLM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-10-14(19)17-15(13-11-8-7-9-12-13)16(20)18(5-2)6-3/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide?
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide is sourced from PubChem (CID 110287066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).