2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

C20H24N4O3 — CID 46583938

IUPAC2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1ccc(C(=O)NNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N4O3/c1-12-5-7-16(8-6-12)19(26)23-24-20(27)21-11-17(25)22-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyQFMVFCVWEGJSLH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.50
Rot. Bonds4

About 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46583938) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID46583938
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1ccc(C(=O)NNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N4O3/c1-12-5-7-16(8-6-12)19(26)23-24-20(27)21-11-17(25)22-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyQFMVFCVWEGJSLH-UHFFFAOYSA-N
XLogP2.50
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 26080663
4-cyclohexyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 43021818
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55606385
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 46583938) is 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1ccc(C(=O)NNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QFMVFCVWEGJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-5-7-16(8-6-12)19(26)23-24-20(27)21-11-17(25)22-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46583938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).