N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide

C16H27NO2 — CID 91662713

IUPACN-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC(CO)CC1CCCCC1)C1CC=CC1
InChIInChI=1S/C16H27NO2/c18-12-14(10-13-6-2-1-3-7-13)11-17-16(19)15-8-4-5-9-15/h4-5,13-15,18H,1-3,6-12H2,(H,17,19)
InChIKeyBXVFJHYCGSDKDX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide

N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide (PubChem CID 91662713) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide
PubChem CID91662713
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCC(CO)CC1CCCCC1)C1CC=CC1
InChIInChI=1S/C16H27NO2/c18-12-14(10-13-6-2-1-3-7-13)11-17-16(19)15-8-4-5-9-15/h4-5,13-15,18H,1-3,6-12H2,(H,17,19)
InChIKeyBXVFJHYCGSDKDX-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide (CID 91662713) is N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide is O=C(NCC(CO)CC1CCCCC1)C1CC=CC1.
What is the InChIKey of N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is BXVFJHYCGSDKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-12-14(10-13-6-2-1-3-7-13)11-17-16(19)15-8-4-5-9-15/h4-5,13-15,18H,1-3,6-12H2,(H,17,19).
What are the key properties of N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide?
N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)-3-hydroxypropyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 91662713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).