N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide

C14H17NO2 — CID 69061112

IUPACN-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C=Cc1ccccc1)COC
InChIInChI=1S/C14H17NO2/c1-12(2)14(16)15(11-17-3)10-9-13-7-5-4-6-8-13/h4-10H,1,11H2,2-3H3
InChIKeyIOZOKICYGKDDFQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.67
Rot. Bonds5

About N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide

N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide (PubChem CID 69061112) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide
PubChem CID69061112
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C=Cc1ccccc1)COC
InChIInChI=1S/C14H17NO2/c1-12(2)14(16)15(11-17-3)10-9-13-7-5-4-6-8-13/h4-10H,1,11H2,2-3H3
InChIKeyIOZOKICYGKDDFQ-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylethenyl(propyl)carbamic acid
CID 174766085
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
acetic acid;stilbene
CID 172803728
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
CID 66766714
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
CID 102298814
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide?
The IUPAC name of N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide (CID 69061112) is N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide?
The canonical SMILES for N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide is C=C(C)C(=O)N(C=Cc1ccccc1)COC.
What is the InChIKey of N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide?
The InChIKey is IOZOKICYGKDDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-12(2)14(16)15(11-17-3)10-9-13-7-5-4-6-8-13/h4-10H,1,11H2,2-3H3.
What are the key properties of N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide?
N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide has a molecular weight of 231.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-N-(2-phenylethenyl)prop-2-enamide is sourced from PubChem (CID 69061112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).