2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid

C16H24N2O3 — CID 65285289

IUPAC2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(15(19)20)8-7-9-13(2)17-16(21)18(3)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWTADHEPIDFZNDJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.11
Rot. Bonds7

About 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid

2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid (PubChem CID 65285289) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
PubChem CID65285289
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)N(C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(15(19)20)8-7-9-13(2)17-16(21)18(3)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyWTADHEPIDFZNDJ-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
CID 82849236
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
CID 65285828
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
4-[methyl-[3-[[methyl(phenyl)carbamoyl]amino]butyl]amino]-N-propan-2-ylbenzamide
CID 170187253
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145944
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65290123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid (CID 65285289) is 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid?
The InChIKey is WTADHEPIDFZNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(15(19)20)8-7-9-13(2)17-16(21)18(3)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid?
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 65285289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).