ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate

C15H29NO3 — CID 64745584

IUPACethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
SMILESCCNC(COC1CCC(C)C(C)C1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-5-16-14(15(17)18-6-2)10-19-13-8-7-11(3)12(4)9-13/h11-14,16H,5-10H2,1-4H3
InChIKeyGUUPOBMWODUBIS-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.37
Rot. Bonds7

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

ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate (PubChem CID 64745584) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
PubChem CID64745584
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
SMILESCCNC(COC1CCC(C)C(C)C1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-5-16-14(15(17)18-6-2)10-19-13-8-7-11(3)12(4)9-13/h11-14,16H,5-10H2,1-4H3
InChIKeyGUUPOBMWODUBIS-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64744611
ethyl 4-(3,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 64745772
ethyl 3-(3,5-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propanoate
CID 64729857
ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate
CID 66324378
N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
CID 64746524
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
CID 64746944
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745588
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylbutanamide
CID 64744615
4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
CID 64746746
2-[(3,4-dimethylcyclohexyl)oxymethyl]pentane-1-sulfonyl chloride
CID 65012862

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
The IUPAC name of ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate (CID 64745584) is ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate is CCNC(COC1CCC(C)C(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
The InChIKey is GUUPOBMWODUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-16-14(15(17)18-6-2)10-19-13-8-7-11(3)12(4)9-13/h11-14,16H,5-10H2,1-4H3.
What are the key properties of ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate?
ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate has a molecular weight of 271.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate is sourced from PubChem (CID 64745584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).