N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide

C19H19N3O3 — CID 166421201

IUPACN-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
SMILESC=CC(=O)Nc1ccc(CC(=O)Nc2ccccc2C(=O)NC)cc1
InChIInChI=1S/C19H19N3O3/c1-3-17(23)21-14-10-8-13(9-11-14)12-18(24)22-16-7-5-4-6-15(16)19(25)20-2/h3-11H,1,12H2,2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyMINRAOSBVPVEEG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide

N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide (PubChem CID 166421201) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
PubChem CID166421201
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
SMILESC=CC(=O)Nc1ccc(CC(=O)Nc2ccccc2C(=O)NC)cc1
InChIInChI=1S/C19H19N3O3/c1-3-17(23)21-14-10-8-13(9-11-14)12-18(24)22-16-7-5-4-6-15(16)19(25)20-2/h3-11H,1,12H2,2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyMINRAOSBVPVEEG-UHFFFAOYSA-N
XLogP2.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.35
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-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
CID 154803721
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
CID 108804791
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 167813113
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-(1-anilinoethenylamino)-N-methylbenzamide
CID 59846622
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421351
N-[4-[2-[3-(methanesulfonamido)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421162

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide (CID 166421201) is N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide is C=CC(=O)Nc1ccc(CC(=O)Nc2ccccc2C(=O)NC)cc1.
What is the InChIKey of N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide?
The InChIKey is MINRAOSBVPVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-17(23)21-14-10-8-13(9-11-14)12-18(24)22-16-7-5-4-6-15(16)19(25)20-2/h3-11H,1,12H2,2H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide?
N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 166421201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).