1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 29006529

IUPAC1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCCNC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-3-4-8-11-15-13(19)16-14(12(17)18)9-6-5-7-10-14/h2-11H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHRSIWZKTHWPSDP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.65
Rot. Bonds7

About 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 29006529) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID29006529
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCCCNC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-3-4-8-11-15-13(19)16-14(12(17)18)9-6-5-7-10-14/h2-11H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHRSIWZKTHWPSDP-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 107006348
1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114131676
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-butyl-3-(1-carbamothioylcyclooctyl)urea
CID 61122376
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674

Frequently Asked Questions

What is the IUPAC name of 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 29006529) is 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid is CCCCCCNC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HRSIWZKTHWPSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-3-4-8-11-15-13(19)16-14(12(17)18)9-6-5-7-10-14/h2-11H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 29006529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).