2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid

C19H34N2O5 — CID 71264419

IUPAC2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCCCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C19H34N2O5/c1-19(2,3)26-18(25)21-13-9-5-4-8-12-20-16(22)14-10-6-7-11-15(14)17(23)24/h14-15H,4-13H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyRWVUPWOXWHPFQO-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.08
Rot. Bonds9

About 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid

2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 71264419) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID71264419
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Name2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCCCCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C19H34N2O5/c1-19(2,3)26-18(25)21-13-9-5-4-8-12-20-16(22)14-10-6-7-11-15(14)17(23)24/h14-15H,4-13H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyRWVUPWOXWHPFQO-UHFFFAOYSA-N
XLogP3.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]piperidine-1-carboxylic acid
CID 148549312
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
2-(3-dodecoxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 154136601
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid (CID 71264419) is 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)(C)OC(=O)NCCCCCCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RWVUPWOXWHPFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-19(2,3)26-18(25)21-13-9-5-4-8-12-20-16(22)14-10-6-7-11-15(14)17(23)24/h14-15H,4-13H2,1-3H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71264419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).