methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate

C17H31NO3 — CID 64745588

IUPACmethyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
SMILESCCNC(COC1CCC(C)C(C)C1)(C(=O)OC)C1CC1
InChIInChI=1S/C17H31NO3/c1-5-18-17(14-7-8-14,16(19)20-4)11-21-15-9-6-12(2)13(3)10-15/h12-15,18H,5-11H2,1-4H3
InChIKeyBHTMPKXBMBOBLG-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.76
Rot. Bonds7

About methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate

methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate (PubChem CID 64745588) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
PubChem CID64745588
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namemethyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
SMILESCCNC(COC1CCC(C)C(C)C1)(C(=O)OC)C1CC1
InChIInChI=1S/C17H31NO3/c1-5-18-17(14-7-8-14,16(19)20-4)11-21-15-9-6-12(2)13(3)10-15/h12-15,18H,5-11H2,1-4H3
InChIKeyBHTMPKXBMBOBLG-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64747155
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
CID 64746760
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714
methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
2-cyclopropyl-2-(ethylamino)-3-(oxan-4-yloxy)propanamide
CID 63920320
2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
CID 63920746
methyl 2-cyclopropyl-2-(ethylamino)-3-[2-(methylamino)-2-oxoethyl]sulfanylpropanoate
CID 114231919
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate (CID 64745588) is methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate is CCNC(COC1CCC(C)C(C)C1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
The InChIKey is BHTMPKXBMBOBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-5-18-17(14-7-8-14,16(19)20-4)11-21-15-9-6-12(2)13(3)10-15/h12-15,18H,5-11H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate has a molecular weight of 297.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate is sourced from PubChem (CID 64745588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).