3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid

C18H20N2O3 — CID 16777345

IUPAC3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
SMILESO=C(Nc1cc2ccccc2cc1C(=O)O)NC1CCCCC1
InChIInChI=1S/C18H20N2O3/c21-17(22)15-10-12-6-4-5-7-13(12)11-16(15)20-18(23)19-14-8-2-1-3-9-14/h4-7,10-11,14H,1-3,8-9H2,(H,21,22)(H2,19,20,23)
InChIKeyFUXFOYQXHGGHAJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.99
Rot. Bonds3

About 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid

3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid (PubChem CID 16777345) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
PubChem CID16777345
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
SMILESO=C(Nc1cc2ccccc2cc1C(=O)O)NC1CCCCC1
InChIInChI=1S/C18H20N2O3/c21-17(22)15-10-12-6-4-5-7-13(12)11-16(15)20-18(23)19-14-8-2-1-3-9-14/h4-7,10-11,14H,1-3,8-9H2,(H,21,22)(H2,19,20,23)
InChIKeyFUXFOYQXHGGHAJ-UHFFFAOYSA-N
XLogP3.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
(2S)-2-[[3-[(2-chlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-cyclohexylacetic acid
CID 44560952
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid (CID 16777345) is 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid is O=C(Nc1cc2ccccc2cc1C(=O)O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid?
The InChIKey is FUXFOYQXHGGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(22)15-10-12-6-4-5-7-13(12)11-16(15)20-18(23)19-14-8-2-1-3-9-14/h4-7,10-11,14H,1-3,8-9H2,(H,21,22)(H2,19,20,23).
What are the key properties of 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid?
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 16777345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).