N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide

C16H24N2O2 — CID 60695594

IUPACN-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide
SMILESCCNC(=O)CN(CC)CCCC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-17-16(20)13-18(4-2)12-8-11-15(19)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,17,20)
InChIKeyKADCQOVYIHMXHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds9

About N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide

N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide (PubChem CID 60695594) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide
PubChem CID60695594
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide
SMILESCCNC(=O)CN(CC)CCCC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-17-16(20)13-18(4-2)12-8-11-15(19)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,17,20)
InChIKeyKADCQOVYIHMXHK-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
N-ethyl-2-[ethyl(4-oxohexyl)amino]acetamide
CID 106801389
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
N-benzyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666155
N-ethyl-2-[ethyl-(2-oxo-3-phenylpropyl)amino]acetamide
CID 62030498
ethane;1-phenylpentan-1-one
CID 143728184
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide (CID 60695594) is N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide is CCNC(=O)CN(CC)CCCC(=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide?
The InChIKey is KADCQOVYIHMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-17-16(20)13-18(4-2)12-8-11-15(19)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide?
N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide is sourced from PubChem (CID 60695594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).