3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid

C16H24N2O3 — CID 64701407

IUPAC3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
SMILESCCc1cccc(CC)c1NC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-11-8-7-9-12(6-2)14(11)17-15(21)18-16(3,4)10-13(19)20/h7-9H,5-6,10H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyRJIUFXGWEZEFQW-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.19
Rot. Bonds6

About 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid

3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 64701407) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
PubChem CID64701407
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
SMILESCCc1cccc(CC)c1NC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-5-11-8-7-9-12(6-2)14(11)17-15(21)18-16(3,4)10-13(19)20/h7-9H,5-6,10H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyRJIUFXGWEZEFQW-UHFFFAOYSA-N
XLogP3.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701609
3-[(3-iodophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700438
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
4-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066208
3-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83077990
1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216496
3-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 64701832
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911333
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
3-[(2-bromo-4-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700627
3-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701850
3-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64699656

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid (CID 64701407) is 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid is CCc1cccc(CC)c1NC(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is RJIUFXGWEZEFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-11-8-7-9-12(6-2)14(11)17-15(21)18-16(3,4)10-13(19)20/h7-9H,5-6,10H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid?
3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64701407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).