3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide

C14H28N2O2 — CID 79648653

IUPAC3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCCCCCCOC1CCC(NC)(C(N)=O)C1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-6-7-10-18-12-8-9-14(11-12,16-2)13(15)17/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyCZOFHACGYSQJLV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds9

About 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide

3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79648653) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79648653
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCCCCCCOC1CCC(NC)(C(N)=O)C1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-6-7-10-18-12-8-9-14(11-12,16-2)13(15)17/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyCZOFHACGYSQJLV-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
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-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
CID 79649123
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
CID 82791692
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
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-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865

Frequently Asked Questions

What is the IUPAC name of 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide (CID 79648653) is 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide is CCCCCCCOC1CCC(NC)(C(N)=O)C1.
What is the InChIKey of 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is CZOFHACGYSQJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-5-6-7-10-18-12-8-9-14(11-12,16-2)13(15)17/h12,16H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide?
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).