4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide

C16H30N2O3 — CID 61044585

IUPAC4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC(O)COC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O3/c17-16(20)12-6-8-13(9-7-12)18-10-14(19)11-21-15-4-2-1-3-5-15/h12-15,18-19H,1-11H2,(H2,17,20)
InChIKeyXRZVAKZUJOPKMB-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.33
Rot. Bonds7

About 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide

4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide (PubChem CID 61044585) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
PubChem CID61044585
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCC(O)COC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O3/c17-16(20)12-6-8-13(9-7-12)18-10-14(19)11-21-15-4-2-1-3-5-15/h12-15,18-19H,1-11H2,(H2,17,20)
InChIKeyXRZVAKZUJOPKMB-UHFFFAOYSA-N
XLogP1.33
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
CID 54913944
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 60908468
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide (CID 61044585) is 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCC(O)COC2CCCCC2)CC1.
What is the InChIKey of 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide?
The InChIKey is XRZVAKZUJOPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c17-16(20)12-6-8-13(9-7-12)18-10-14(19)11-21-15-4-2-1-3-5-15/h12-15,18-19H,1-11H2,(H2,17,20).
What are the key properties of 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide?
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61044585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).