N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C20H22N2O2 — CID 9416088

IUPACN-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1C
InChIInChI=1S/C20H22N2O2/c1-15-8-10-18(14-16(15)2)22-20(24)12-13-21-19(23)11-9-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/b11-9+
InChIKeyKTZDPCQANAYSPX-PKNBQFBNSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds6

About N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 9416088) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID9416088
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCc1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1C
InChIInChI=1S/C20H22N2O2/c1-15-8-10-18(14-16(15)2)22-20(24)12-13-21-19(23)11-9-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/b11-9+
InChIKeyKTZDPCQANAYSPX-PKNBQFBNSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 9441769
3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034593
N-(4-bromo-3-methylphenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9095951
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 43007325
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
CID 8713953
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
CID 109034636

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 9416088) is N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is Cc1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is KTZDPCQANAYSPX-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-8-10-18(14-16(15)2)22-20(24)12-13-21-19(23)11-9-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/b11-9+.
What are the key properties of N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 9416088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).