3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide

C20H22N2O4 — CID 55575895

IUPAC3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccc(C(=O)NC)cc2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-4-11-26-17-10-9-16(12-18(17)25-3)20(24)22-13-14-5-7-15(8-6-14)19(23)21-2/h4-10,12H,1,11,13H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyMGCWJONBSKLICJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.55
Rot. Bonds8

About 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide

3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide (PubChem CID 55575895) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
PubChem CID55575895
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccc(C(=O)NC)cc2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-4-11-26-17-10-9-16(12-18(17)25-3)20(24)22-13-14-5-7-15(8-6-14)19(23)21-2/h4-10,12H,1,11,13H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyMGCWJONBSKLICJ-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
CID 47019688
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
4-[[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966182
3-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249472
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 119998178
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 33159433

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide (CID 55575895) is 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2ccc(C(=O)NC)cc2)cc1OC.
What is the InChIKey of 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide?
The InChIKey is MGCWJONBSKLICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-11-26-17-10-9-16(12-18(17)25-3)20(24)22-13-14-5-7-15(8-6-14)19(23)21-2/h4-10,12H,1,11,13H2,2-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 55575895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).