3-[(2-cycloheptylacetyl)amino]benzoic acid

C16H21NO3 — CID 115909872

IUPAC3-[(2-cycloheptylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCCCC1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H21NO3/c18-15(10-12-6-3-1-2-4-7-12)17-14-9-5-8-13(11-14)16(19)20/h5,8-9,11-12H,1-4,6-7,10H2,(H,17,18)(H,19,20)
InChIKeyMAGMEXHBJJMVCB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.68
Rot. Bonds4

About 3-[(2-cycloheptylacetyl)amino]benzoic acid

3-[(2-cycloheptylacetyl)amino]benzoic acid (PubChem CID 115909872) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(2-cycloheptylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-cycloheptylacetyl)amino]benzoic acid
PubChem CID115909872
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[(2-cycloheptylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCCCC1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H21NO3/c18-15(10-12-6-3-1-2-4-7-12)17-14-9-5-8-13(11-14)16(19)20/h5,8-9,11-12H,1-4,6-7,10H2,(H,17,18)(H,19,20)
InChIKeyMAGMEXHBJJMVCB-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
3-[2-[(2-cyclohexylacetyl)amino]propanoylamino]benzoic acid
CID 119219531
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
3-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 4125020
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]benzoic acid
CID 75429242
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
CID 54786138
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cycloheptylacetyl)amino]benzoic acid?
The IUPAC name of 3-[(2-cycloheptylacetyl)amino]benzoic acid (CID 115909872) is 3-[(2-cycloheptylacetyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-cycloheptylacetyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-cycloheptylacetyl)amino]benzoic acid is O=C(CC1CCCCCC1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-cycloheptylacetyl)amino]benzoic acid?
The InChIKey is MAGMEXHBJJMVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(10-12-6-3-1-2-4-7-12)17-14-9-5-8-13(11-14)16(19)20/h5,8-9,11-12H,1-4,6-7,10H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-cycloheptylacetyl)amino]benzoic acid?
3-[(2-cycloheptylacetyl)amino]benzoic acid has a molecular weight of 275.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cycloheptylacetyl)amino]benzoic acid is sourced from PubChem (CID 115909872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).