ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate

C17H33NO3 — CID 66323112

IUPACethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCOCC1CCCC1)NC(C)C
InChIInChI=1S/C17H33NO3/c1-5-21-16(19)17(4,18-14(2)3)11-8-12-20-13-15-9-6-7-10-15/h14-15,18H,5-13H2,1-4H3
InChIKeyDLDJMVDGWMEOTR-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds10

About ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate

ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 66323112) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID66323112
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CCCOCC1CCCC1)NC(C)C
InChIInChI=1S/C17H33NO3/c1-5-21-16(19)17(4,18-14(2)3)11-8-12-20-13-15-9-6-7-10-15/h14-15,18H,5-13H2,1-4H3
InChIKeyDLDJMVDGWMEOTR-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
methyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62381935
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810147
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate (CID 66323112) is ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CCCOCC1CCCC1)NC(C)C.
What is the InChIKey of ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is DLDJMVDGWMEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-21-16(19)17(4,18-14(2)3)11-8-12-20-13-15-9-6-7-10-15/h14-15,18H,5-13H2,1-4H3.
What are the key properties of ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 299.45 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 66323112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).