4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide

C17H25NO2 — CID 51354311

IUPAC4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(CO)CC1
InChIInChI=1S/C17H25NO2/c19-13-15-8-10-16(11-9-15)17(20)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16,19H,4,7-13H2,(H,18,20)
InChIKeyLNBPMSGDNBMNPE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.53
Rot. Bonds6

About 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide (PubChem CID 51354311) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide
PubChem CID51354311
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(CO)CC1
InChIInChI=1S/C17H25NO2/c19-13-15-8-10-16(11-9-15)17(20)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16,19H,4,7-13H2,(H,18,20)
InChIKeyLNBPMSGDNBMNPE-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide (CID 51354311) is 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide is O=C(NCCCc1ccccc1)C1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
The InChIKey is LNBPMSGDNBMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-13-15-8-10-16(11-9-15)17(20)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16,19H,4,7-13H2,(H,18,20).
What are the key properties of 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-phenylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51354311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).