ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate

C15H29NO3 — CID 177337440

IUPACethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate
SMILESCCOC(=O)CC1CN(C(C(C)C)C(C)C)CCO1
InChIInChI=1S/C15H29NO3/c1-6-18-14(17)9-13-10-16(7-8-19-13)15(11(2)3)12(4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyQYDQRHXQQWHLHV-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.32
Rot. Bonds6

About ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate

ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate (PubChem CID 177337440) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate
PubChem CID177337440
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate
SMILESCCOC(=O)CC1CN(C(C(C)C)C(C)C)CCO1
InChIInChI=1S/C15H29NO3/c1-6-18-14(17)9-13-10-16(7-8-19-13)15(11(2)3)12(4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyQYDQRHXQQWHLHV-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate (CID 177337440) is ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate is CCOC(=O)CC1CN(C(C(C)C)C(C)C)CCO1.
What is the InChIKey of ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate?
The InChIKey is QYDQRHXQQWHLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-18-14(17)9-13-10-16(7-8-19-13)15(11(2)3)12(4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate?
ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate has a molecular weight of 271.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 177337440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).