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

C21H26N4O3 — CID 134052140

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H26N4O3/c1-14(2)23-21(28)24-18-8-6-5-7-17(18)19(26)22-13-15-9-11-16(12-10-15)20(27)25(3)4/h5-12,14H,13H2,1-4H3,(H,22,26)(H2,23,24,28)
InChIKeyBINILMIZVONVAM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.85
Rot. Bonds6

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

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 134052140) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID134052140
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H26N4O3/c1-14(2)23-21(28)24-18-8-6-5-7-17(18)19(26)22-13-15-9-11-16(12-10-15)20(27)25(3)4/h5-12,14H,13H2,1-4H3,(H,22,26)(H2,23,24,28)
InChIKeyBINILMIZVONVAM-UHFFFAOYSA-N
XLogP2.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070
N-[1-[[4-(dimethylcarbamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 134039160
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 86822427
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8996942
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide (CID 134052140) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is BINILMIZVONVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(2)23-21(28)24-18-8-6-5-7-17(18)19(26)22-13-15-9-11-16(12-10-15)20(27)25(3)4/h5-12,14H,13H2,1-4H3,(H,22,26)(H2,23,24,28).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 134052140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).