4-(cyclooctylcarbamoylamino)benzoic acid

C16H22N2O3 — CID 61181422

IUPAC4-(cyclooctylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)NC1CCCCCCC1
InChIInChI=1S/C16H22N2O3/c19-15(20)12-8-10-14(11-9-12)18-16(21)17-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H,19,20)(H2,17,18,21)
InChIKeyJKHZQXNMQUUFEA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.62
Rot. Bonds3

About 4-(cyclooctylcarbamoylamino)benzoic acid

4-(cyclooctylcarbamoylamino)benzoic acid (PubChem CID 61181422) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(cyclooctylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-(cyclooctylcarbamoylamino)benzoic acid
PubChem CID61181422
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(cyclooctylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)NC1CCCCCCC1
InChIInChI=1S/C16H22N2O3/c19-15(20)12-8-10-14(11-9-12)18-16(21)17-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H,19,20)(H2,17,18,21)
InChIKeyJKHZQXNMQUUFEA-UHFFFAOYSA-N
XLogP3.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
4-[(1,1-dioxothian-3-yl)carbamoylamino]benzoic acid
CID 63923964
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylcarbamoylamino)benzoic acid?
The IUPAC name of 4-(cyclooctylcarbamoylamino)benzoic acid (CID 61181422) is 4-(cyclooctylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-(cyclooctylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-(cyclooctylcarbamoylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)NC1CCCCCCC1.
What is the InChIKey of 4-(cyclooctylcarbamoylamino)benzoic acid?
The InChIKey is JKHZQXNMQUUFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)12-8-10-14(11-9-12)18-16(21)17-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-(cyclooctylcarbamoylamino)benzoic acid?
4-(cyclooctylcarbamoylamino)benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61181422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).