N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide

C20H24N4O3 — CID 121062212

IUPACN-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-13-10-14(2)12-18(11-13)24-20(27)23-17-6-4-16(5-7-17)19(26)22-9-8-21-15(3)25/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)(H,22,26)(H2,23,24,27)
InChIKeyXLXBGLMYELLDGS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.81
Rot. Bonds6

About N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide

N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide (PubChem CID 121062212) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide
PubChem CID121062212
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H24N4O3/c1-13-10-14(2)12-18(11-13)24-20(27)23-17-6-4-16(5-7-17)19(26)22-9-8-21-15(3)25/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)(H,22,26)(H2,23,24,27)
InChIKeyXLXBGLMYELLDGS-UHFFFAOYSA-N
XLogP2.81
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 121062071
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
4-acetamido-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]benzamide
CID 110796029
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide (CID 121062212) is N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide?
The InChIKey is XLXBGLMYELLDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-10-14(2)12-18(11-13)24-20(27)23-17-6-4-16(5-7-17)19(26)22-9-8-21-15(3)25/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)(H,22,26)(H2,23,24,27).
What are the key properties of N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide?
N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 121062212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).