(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide

C13H17NO — CID 97305683

IUPAC(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C\c1ccccc1C
InChIInChI=1S/C13H17NO/c1-3-10-14-13(15)9-8-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H,14,15)/b9-8-
InChIKeyMBJQHPUGZDFJPS-HJWRWDBZSA-N
MW203.28 g/mol
LogP2.53
Rot. Bonds4

About (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide

(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide (PubChem CID 97305683) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
PubChem CID97305683
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C\c1ccccc1C
InChIInChI=1S/C13H17NO/c1-3-10-14-13(15)9-8-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H,14,15)/b9-8-
InChIKeyMBJQHPUGZDFJPS-HJWRWDBZSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
CID 115612706
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
3-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81064774
diethyl-[[2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 9073835
(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide
CID 8948290
3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935147
2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43387414
4-methyl-5-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 82009524
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
CID 103280647

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide (CID 97305683) is (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide is CCCNC(=O)/C=C\c1ccccc1C.
What is the InChIKey of (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide?
The InChIKey is MBJQHPUGZDFJPS-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-10-14-13(15)9-8-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H,14,15)/b9-8-.
What are the key properties of (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide?
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 97305683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).