1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid

C14H18N2O3 — CID 61291221

IUPAC1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccccc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H18N2O3/c15-12(17)10-6-2-3-7-11(10)16-14(13(18)19)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-9H2,(H2,15,17)(H,18,19)
InChIKeyFDALJBZKICRHDV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds4

About 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid

1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid (PubChem CID 61291221) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
PubChem CID61291221
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccccc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H18N2O3/c15-12(17)10-6-2-3-7-11(10)16-14(13(18)19)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-9H2,(H2,15,17)(H,18,19)
InChIKeyFDALJBZKICRHDV-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbamoyl-5-methylanilino)cyclohexane-1-carboxylic acid
CID 62307058
1-(2-carbamoyl-5-chloroanilino)cycloheptane-1-carboxylic acid
CID 63082238
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362
2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
CID 63887827
1-(5-bromo-2-carbamoylanilino)cyclobutane-1-carboxylic acid
CID 114901144
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid (CID 61291221) is 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid is NC(=O)c1ccccc1NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is FDALJBZKICRHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-12(17)10-6-2-3-7-11(10)16-14(13(18)19)8-4-1-5-9-14/h2-3,6-7,16H,1,4-5,8-9H2,(H2,15,17)(H,18,19).
What are the key properties of 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid?
1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).