prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate

C26H26N2O5 — CID 71305163

IUPACprop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate
SMILESC=CCOC(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C26H26N2O5/c1-4-16-33-26(30)28(18-19-10-6-5-7-11-19)23-13-9-8-12-21(23)25(29)27-22-17-20(31-2)14-15-24(22)32-3/h4-15,17H,1,16,18H2,2-3H3,(H,27,29)
InChIKeyDCKDSCVXCQHPRR-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.29
Rot. Bonds9

About prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate

prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate (PubChem CID 71305163) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate
PubChem CID71305163
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Nameprop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate
SMILESC=CCOC(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C26H26N2O5/c1-4-16-33-26(30)28(18-19-10-6-5-7-11-19)23-13-9-8-12-21(23)25(29)27-22-17-20(31-2)14-15-24(22)32-3/h4-15,17H,1,16,18H2,2-3H3,(H,27,29)
InChIKeyDCKDSCVXCQHPRR-UHFFFAOYSA-N
XLogP5.29
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
CID 2469146
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170343
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
CID 109040385
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate (CID 71305163) is prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate is C=CCOC(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is DCKDSCVXCQHPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-4-16-33-26(30)28(18-19-10-6-5-7-11-19)23-13-9-8-12-21(23)25(29)27-22-17-20(31-2)14-15-24(22)32-3/h4-15,17H,1,16,18H2,2-3H3,(H,27,29).
What are the key properties of prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate?
prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 446.50 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-benzyl-N-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 71305163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).