methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate

C14H28N2O3 — CID 62027203

IUPACmethyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
SMILESCCCN(CCC)C(=O)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-8-15(9-7-2)13(17)10-16(12(3)4)11-14(18)19-5/h12H,6-11H2,1-5H3
InChIKeyXMJLAIHKGZJRGG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.52
Rot. Bonds9

About methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate

methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate (PubChem CID 62027203) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
PubChem CID62027203
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
SMILESCCCN(CCC)C(=O)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-8-15(9-7-2)13(17)10-16(12(3)4)11-14(18)19-5/h12H,6-11H2,1-5H3
InChIKeyXMJLAIHKGZJRGG-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate (CID 62027203) is methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate is CCCN(CCC)C(=O)CN(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate?
The InChIKey is XMJLAIHKGZJRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-8-15(9-7-2)13(17)10-16(12(3)4)11-14(18)19-5/h12H,6-11H2,1-5H3.
What are the key properties of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate?
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate has a molecular weight of 272.39 g/mol, XLogP of 1.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).