(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide

C14H19NO2 — CID 47025986

IUPAC(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1ccccc1OC
InChIInChI=1S/C14H19NO2/c1-4-7-11(2)14(16)15-10-12-8-5-6-9-13(12)17-3/h5-9H,4,10H2,1-3H3,(H,15,16)/b11-7-
InChIKeyNGFWXUYUFJZNEG-XFFZJAGNSA-N
MW233.31 g/mol
LogP2.67
Rot. Bonds5

About (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide

(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide (PubChem CID 47025986) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
PubChem CID47025986
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1ccccc1OC
InChIInChI=1S/C14H19NO2/c1-4-7-11(2)14(16)15-10-12-8-5-6-9-13(12)17-3/h5-9H,4,10H2,1-3H3,(H,15,16)/b11-7-
InChIKeyNGFWXUYUFJZNEG-XFFZJAGNSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 4672170
(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
CID 110298638
(Z)-4-[(2-methoxyphenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266732
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
(Z)-4-[(2-methoxyphenyl)methylamino]-2-methylbut-2-enoic acid
CID 103231830

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide (CID 47025986) is (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCc1ccccc1OC.
What is the InChIKey of (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide?
The InChIKey is NGFWXUYUFJZNEG-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-7-11(2)14(16)15-10-12-8-5-6-9-13(12)17-3/h5-9H,4,10H2,1-3H3,(H,15,16)/b11-7-.
What are the key properties of (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide?
(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 47025986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).