3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide

C27H29NO5 — CID 55917567

IUPAC3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C27H29NO5/c1-5-15-28(18-20-11-13-23(30-2)14-12-20)27(29)22-16-24(31-3)26(25(17-22)32-4)33-19-21-9-7-6-8-10-21/h5-14,16-17H,1,15,18-19H2,2-4H3
InChIKeySNUUUAOYHGFYJM-UHFFFAOYSA-N
MW447.53 g/mol
LogP5.12
Rot. Bonds11

About 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide

3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide (PubChem CID 55917567) has the molecular formula C27H29NO5 and a molecular weight of 447.53 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
PubChem CID55917567
Molecular FormulaC27H29NO5
Molecular Weight447.53 g/mol
Exact Mass447.20
IUPAC Name3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C27H29NO5/c1-5-15-28(18-20-11-13-23(30-2)14-12-20)27(29)22-16-24(31-3)26(25(17-22)32-4)33-19-21-9-7-6-8-10-21/h5-14,16-17H,1,15,18-19H2,2-4H3
InChIKeySNUUUAOYHGFYJM-UHFFFAOYSA-N
XLogP5.12
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
3-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55982363
5-bromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 55918848
N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
CID 47064295
methyl N-[(2-bromo-3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 11103417
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide (CID 55917567) is 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide is C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide?
The InChIKey is SNUUUAOYHGFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO5/c1-5-15-28(18-20-11-13-23(30-2)14-12-20)27(29)22-16-24(31-3)26(25(17-22)32-4)33-19-21-9-7-6-8-10-21/h5-14,16-17H,1,15,18-19H2,2-4H3.
What are the key properties of 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide?
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide has a molecular weight of 447.53 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 55917567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).