2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide

C16H23N3O3 — CID 9432878

IUPAC2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H23N3O3/c1-4-17-15(21)10-19(5-2)11-16(22)18-14-8-6-7-13(9-14)12(3)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyMKQVMLDQMYTSJT-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.29
Rot. Bonds8

About 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 9432878) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID9432878
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H23N3O3/c1-4-17-15(21)10-19(5-2)11-16(22)18-14-8-6-7-13(9-14)12(3)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyMKQVMLDQMYTSJT-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
N-(3-acetylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962325
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
CID 47059686
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 9432878) is 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is MKQVMLDQMYTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-17-15(21)10-19(5-2)11-16(22)18-14-8-6-7-13(9-14)12(3)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 305.38 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 9432878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).