4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid

C15H20N2O4 — CID 102633588

IUPAC4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
SMILESCN(C(=O)Nc1ccc(C(=O)O)cc1)C1CCCCC1O
InChIInChI=1S/C15H20N2O4/c1-17(12-4-2-3-5-13(12)18)15(21)16-11-8-6-10(7-9-11)14(19)20/h6-9,12-13,18H,2-5H2,1H3,(H,16,21)(H,19,20)
InChIKeyPBESCKBDMMTYJC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.15
Rot. Bonds3

About 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid

4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid (PubChem CID 102633588) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
PubChem CID102633588
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
SMILESCN(C(=O)Nc1ccc(C(=O)O)cc1)C1CCCCC1O
InChIInChI=1S/C15H20N2O4/c1-17(12-4-2-3-5-13(12)18)15(21)16-11-8-6-10(7-9-11)14(19)20/h6-9,12-13,18H,2-5H2,1H3,(H,16,21)(H,19,20)
InChIKeyPBESCKBDMMTYJC-UHFFFAOYSA-N
XLogP2.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051
4-[[[[(1R,2R)-2-hydroxycyclopentyl]-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020422
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157586
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
3-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]-1-methylthiourea
CID 100641512
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid?
The IUPAC name of 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid (CID 102633588) is 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid?
The canonical SMILES for 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid is CN(C(=O)Nc1ccc(C(=O)O)cc1)C1CCCCC1O.
What is the InChIKey of 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid?
The InChIKey is PBESCKBDMMTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(12-4-2-3-5-13(12)18)15(21)16-11-8-6-10(7-9-11)14(19)20/h6-9,12-13,18H,2-5H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid?
4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid is sourced from PubChem (CID 102633588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).