3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide

C12H24N2O3 — CID 54938816

IUPAC3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
SMILESNC(=O)CCNCC(O)COC1CCCCC1
InChIInChI=1S/C12H24N2O3/c13-12(16)6-7-14-8-10(15)9-17-11-4-2-1-3-5-11/h10-11,14-15H,1-9H2,(H2,13,16)
InChIKeyYJZGKZMQPROCJI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.16
Rot. Bonds8

About 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide (PubChem CID 54938816) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
PubChem CID54938816
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
SMILESNC(=O)CCNCC(O)COC1CCCCC1
InChIInChI=1S/C12H24N2O3/c13-12(16)6-7-14-8-10(15)9-17-11-4-2-1-3-5-11/h10-11,14-15H,1-9H2,(H2,13,16)
InChIKeyYJZGKZMQPROCJI-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.16
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

3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
CID 106237886
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide?
The IUPAC name of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide (CID 54938816) is 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide.
What is the SMILES notation for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide?
The canonical SMILES for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide is NC(=O)CCNCC(O)COC1CCCCC1.
What is the InChIKey of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide?
The InChIKey is YJZGKZMQPROCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-12(16)6-7-14-8-10(15)9-17-11-4-2-1-3-5-11/h10-11,14-15H,1-9H2,(H2,13,16).
What are the key properties of 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide?
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 54938816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).