3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C15H30N2O3 — CID 106666769

IUPAC3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCOC(C)(C)CCOC1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-11(2)17-15(13(16)18)7-6-12(10-15)20-9-8-14(3,4)19-5/h11-12,17H,6-10H2,1-5H3,(H2,16,18)
InChIKeySHZLXRDVKUMKHP-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.59
Rot. Bonds8

About 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 106666769) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID106666769
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCOC(C)(C)CCOC1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-11(2)17-15(13(16)18)7-6-12(10-15)20-9-8-14(3,4)19-5/h11-12,17H,6-10H2,1-5H3,(H2,16,18)
InChIKeySHZLXRDVKUMKHP-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
CID 106666723
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
CID 79649123
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
1-(cyclopropylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79649443

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 106666769) is 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is COC(C)(C)CCOC1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is SHZLXRDVKUMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)17-15(13(16)18)7-6-12(10-15)20-9-8-14(3,4)19-5/h11-12,17H,6-10H2,1-5H3,(H2,16,18).
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 106666769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).