N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide

C19H21NO3 — CID 134016517

IUPACN-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-4-12-23-17-11-10-16(13-18(17)22-3)19(21)20(2)14-15-8-6-5-7-9-15/h4-11,13H,1,12,14H2,2-3H3
InChIKeyWXIZVMYPWIGNNO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.53
Rot. Bonds7

About N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide

N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide (PubChem CID 134016517) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
PubChem CID134016517
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-4-12-23-17-11-10-16(13-18(17)22-3)19(21)20(2)14-15-8-6-5-7-9-15/h4-11,13H,1,12,14H2,2-3H3
InChIKeyWXIZVMYPWIGNNO-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 55579974
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-(1-adamantylmethyl)-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 42576424
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
The IUPAC name of N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide (CID 134016517) is N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
The canonical SMILES for N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
The InChIKey is WXIZVMYPWIGNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-12-23-17-11-10-16(13-18(17)22-3)19(21)20(2)14-15-8-6-5-7-9-15/h4-11,13H,1,12,14H2,2-3H3.
What are the key properties of N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide is sourced from PubChem (CID 134016517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).