2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid

C15H21NO3 — CID 114199808

IUPAC2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
SMILESCCCC(CC)NC(=O)c1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-3-7-12(4-2)16-15(19)13-9-6-5-8-11(13)10-14(17)18/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKFERHKAAZZUNRV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds7

About 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid

2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid (PubChem CID 114199808) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
PubChem CID114199808
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
SMILESCCCC(CC)NC(=O)c1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-3-7-12(4-2)16-15(19)13-9-6-5-8-11(13)10-14(17)18/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKFERHKAAZZUNRV-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
2-[2-(hex-5-yn-3-ylcarbamoyl)phenyl]acetic acid
CID 114199843
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
N-pentan-3-yl-2-[(2S)-pentan-2-yl]oxybenzamide
CID 164755077
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid (CID 114199808) is 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid is CCCC(CC)NC(=O)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid?
The InChIKey is KFERHKAAZZUNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-7-12(4-2)16-15(19)13-9-6-5-8-11(13)10-14(17)18/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid?
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid is sourced from PubChem (CID 114199808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).