N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide

C19H19N3O3 — CID 176973912

IUPACN-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1
InChIInChI=1S/C19H19N3O3/c1-4-18(24)21-15-7-5-6-14(11-15)19(25)22-16-8-9-17(12(2)10-16)20-13(3)23/h4-11H,1H2,2-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyNYMQZNGIVINRQH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.33
Rot. Bonds5

About N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide

N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide (PubChem CID 176973912) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
PubChem CID176973912
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1
InChIInChI=1S/C19H19N3O3/c1-4-18(24)21-15-7-5-6-14(11-15)19(25)22-16-8-9-17(12(2)10-16)20-13(3)23/h4-11H,1H2,2-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyNYMQZNGIVINRQH-UHFFFAOYSA-N
XLogP3.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-aminobenzamide
CID 43698803
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide (CID 176973912) is N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide?
The InChIKey is NYMQZNGIVINRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-18(24)21-15-7-5-6-14(11-15)19(25)22-16-8-9-17(12(2)10-16)20-13(3)23/h4-11H,1H2,2-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide?
N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 176973912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).