N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide

C19H21N3O2 — CID 91943136

IUPACN-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
SMILESCNC(=O)Nc1ccc(NC(=O)CC=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-14-6-8-15(9-7-14)4-3-5-18(23)21-16-10-12-17(13-11-16)22-19(24)20-2/h3-4,6-13H,5H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyRFWHVRULCMFUHD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide

N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide (PubChem CID 91943136) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
PubChem CID91943136
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
SMILESCNC(=O)Nc1ccc(NC(=O)CC=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-14-6-8-15(9-7-14)4-3-5-18(23)21-16-10-12-17(13-11-16)22-19(24)20-2/h3-4,6-13H,5H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyRFWHVRULCMFUHD-UHFFFAOYSA-N
XLogP3.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
CID 75377813
(E)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(4-methylphenyl)but-3-enamide
CID 75464323
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
ethyl 4-(4-acetamidophenyl)but-3-enoate
CID 170796600
ethyl 4-[4-(3-chloropropanoylamino)phenyl]but-3-enoate
CID 170797033
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
[2-(4-methylanilino)-2-oxoethyl] (E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoate
CID 38816941
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
CID 62706949

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide (CID 91943136) is N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide is CNC(=O)Nc1ccc(NC(=O)CC=Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide?
The InChIKey is RFWHVRULCMFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-6-8-15(9-7-14)4-3-5-18(23)21-16-10-12-17(13-11-16)22-19(24)20-2/h3-4,6-13H,5H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide?
N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide has a molecular weight of 323.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide is sourced from PubChem (CID 91943136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).