2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

C17H26N4O3 — CID 8588228

IUPAC2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-12(2)9-18-17(24)20-16(23)11-21(4)10-15(22)19-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H2,18,20,23,24)
InChIKeyBFLLPVCDNUIEPG-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.35
Rot. Bonds7

About 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 8588228) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID8588228
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-12(2)9-18-17(24)20-16(23)11-21(4)10-15(22)19-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H2,18,20,23,24)
InChIKeyBFLLPVCDNUIEPG-UHFFFAOYSA-N
XLogP1.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)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

N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105085
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18197658
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (CID 8588228) is 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)NC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is BFLLPVCDNUIEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(2)9-18-17(24)20-16(23)11-21(4)10-15(22)19-14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,19,22)(H2,18,20,23,24).
What are the key properties of 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8588228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).