3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C15H30N2O2 — CID 79649116

IUPAC3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCCCCCOC1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-10-19-13-8-9-15(11-13,14(16)18)17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,18)
InChIKeySMXDZUVPNFQCLS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.36
Rot. Bonds9

About 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79649116) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79649116
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCCCCCCOC1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-10-19-13-8-9-15(11-13,14(16)18)17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,18)
InChIKeySMXDZUVPNFQCLS-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
CID 79649123
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79649116) is 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CCCCCCOC1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is SMXDZUVPNFQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-7-10-19-13-8-9-15(11-13,14(16)18)17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,18).
What are the key properties of 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).