4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide

C21H23N3O3 — CID 23403007

IUPAC4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide
SMILESCNC(=O)CC=C(c1cccc(NC(C)=O)c1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)23-18-8-4-6-16(12-18)20(10-11-21(27)22-3)17-7-5-9-19(13-17)24-15(2)26/h4-10,12-13H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyIOTIPTQRULPXOU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.17
Rot. Bonds6

About 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide

4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide (PubChem CID 23403007) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide.

Molecular Properties

Compound Name4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide
PubChem CID23403007
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide
SMILESCNC(=O)CC=C(c1cccc(NC(C)=O)c1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)23-18-8-4-6-16(12-18)20(10-11-21(27)22-3)17-7-5-9-19(13-17)24-15(2)26/h4-10,12-13H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyIOTIPTQRULPXOU-UHFFFAOYSA-N
XLogP3.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
3-acetamido-N-ethylbenzamide
CID 17230670
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-(3-acetylphenyl)propanamide
CID 903063
N-[3-[(Z)-2-bromo-1-chloroethenyl]phenyl]acetamide
CID 135075501
ethyl 3-acetamidobenzoate
CID 700589
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide?
The IUPAC name of 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide (CID 23403007) is 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide.
What is the SMILES notation for 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide?
The canonical SMILES for 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide is CNC(=O)CC=C(c1cccc(NC(C)=O)c1)c1cccc(NC(C)=O)c1.
What is the InChIKey of 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide?
The InChIKey is IOTIPTQRULPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(25)23-18-8-4-6-16(12-18)20(10-11-21(27)22-3)17-7-5-9-19(13-17)24-15(2)26/h4-10,12-13H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide?
4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide has a molecular weight of 365.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(3-acetamidophenyl)-N-methylbut-3-enamide is sourced from PubChem (CID 23403007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).