N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide

C19H19N3O2 — CID 108922603

IUPACN-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(NC(=O)CC#N)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-14-3-2-4-15(13-14)5-10-18(23)21-16-6-8-17(9-7-16)22-19(24)11-12-20/h2-4,6-9,13H,5,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyCGTGFGPQANNXQT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide

N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 108922603) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
PubChem CID108922603
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(NC(=O)CC#N)cc2)c1
InChIInChI=1S/C19H19N3O2/c1-14-3-2-4-15(13-14)5-10-18(23)21-16-6-8-17(9-7-16)22-19(24)11-12-20/h2-4,6-9,13H,5,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyCGTGFGPQANNXQT-UHFFFAOYSA-N
XLogP3.42
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide (CID 108922603) is N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(NC(=O)CC#N)cc2)c1.
What is the InChIKey of N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is CGTGFGPQANNXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-3-2-4-15(13-14)5-10-18(23)21-16-6-8-17(9-7-16)22-19(24)11-12-20/h2-4,6-9,13H,5,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide?
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 108922603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).