N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide

C21H27N3O3 — CID 134025192

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccccc2NC(=O)NC(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-5-27-17-12-10-16(11-13-17)14-24(4)20(25)18-8-6-7-9-19(18)23-21(26)22-15(2)3/h6-13,15H,5,14H2,1-4H3,(H2,22,23,26)
InChIKeyLSVJDSWEDORSMX-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.89
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 134025192) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID134025192
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccccc2NC(=O)NC(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-5-27-17-12-10-16(11-13-17)14-24(4)20(25)18-8-6-7-9-19(18)23-21(26)22-15(2)3/h6-13,15H,5,14H2,1-4H3,(H2,22,23,26)
InChIKeyLSVJDSWEDORSMX-UHFFFAOYSA-N
XLogP3.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
CID 17311793
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671181
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 4951315
2-phenoxyethyl 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610276
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 134052140
N-benzyl-N-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 4937337

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide (CID 134025192) is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide is CCOc1ccc(CN(C)C(=O)c2ccccc2NC(=O)NC(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is LSVJDSWEDORSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-27-17-12-10-16(11-13-17)14-24(4)20(25)18-8-6-7-9-19(18)23-21(26)22-15(2)3/h6-13,15H,5,14H2,1-4H3,(H2,22,23,26).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 369.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 134025192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).