2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide

C20H22N4O2 — CID 32996968

IUPAC2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)23-19(25)11-15-6-8-17(9-7-15)22-13-20(26)24-18-5-3-4-16(10-18)12-21/h3-10,14,22H,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWXLDPLMAZIQLOC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide

2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 32996968) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
PubChem CID32996968
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)23-19(25)11-15-6-8-17(9-7-15)22-13-20(26)24-18-5-3-4-16(10-18)12-21/h3-10,14,22H,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWXLDPLMAZIQLOC-UHFFFAOYSA-N
XLogP2.68
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-methylbutanamide
CID 55939858
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide (CID 32996968) is 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is WXLDPLMAZIQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)23-19(25)11-15-6-8-17(9-7-15)22-13-20(26)24-18-5-3-4-16(10-18)12-21/h3-10,14,22H,11,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 32996968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).