N-methoxy-N-methyl-2-prop-2-enoxybenzamide

C12H15NO3 — CID 60735297

IUPACN-methoxy-N-methyl-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N(C)OC
InChIInChI=1S/C12H15NO3/c1-4-9-16-11-8-6-5-7-10(11)12(14)13(2)15-3/h4-8H,1,9H2,2-3H3
InChIKeyPMJNHIXXZGVCOZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.88
Rot. Bonds5

About N-methoxy-N-methyl-2-prop-2-enoxybenzamide

N-methoxy-N-methyl-2-prop-2-enoxybenzamide (PubChem CID 60735297) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-prop-2-enoxybenzamide
PubChem CID60735297
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-methoxy-N-methyl-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)N(C)OC
InChIInChI=1S/C12H15NO3/c1-4-9-16-11-8-6-5-7-10(11)12(14)13(2)15-3/h4-8H,1,9H2,2-3H3
InChIKeyPMJNHIXXZGVCOZ-UHFFFAOYSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-2-prop-2-enoxybenzamide 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

bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
4-[methyl-(2-prop-2-enoxybenzoyl)amino]butanoic acid
CID 43360054
CID 70191473
CID 70191473
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-prop-2-enoxybenzamide
CID 112817432
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-prop-2-enoxybenzamide?
The IUPAC name of N-methoxy-N-methyl-2-prop-2-enoxybenzamide (CID 60735297) is N-methoxy-N-methyl-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-methoxy-N-methyl-2-prop-2-enoxybenzamide?
The canonical SMILES for N-methoxy-N-methyl-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N-methyl-2-prop-2-enoxybenzamide?
The InChIKey is PMJNHIXXZGVCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-9-16-11-8-6-5-7-10(11)12(14)13(2)15-3/h4-8H,1,9H2,2-3H3.
What are the key properties of N-methoxy-N-methyl-2-prop-2-enoxybenzamide?
N-methoxy-N-methyl-2-prop-2-enoxybenzamide has a molecular weight of 221.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-prop-2-enoxybenzamide is sourced from PubChem (CID 60735297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).