methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate

C14H27N3O4 — CID 62026833

IUPACmethyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
SMILESCCCNC(=O)CN(C)C(=O)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C14H27N3O4/c1-6-7-15-12(18)8-16(4)13(19)9-17(11(2)3)10-14(20)21-5/h11H,6-10H2,1-5H3,(H,15,18)
InChIKeyRDNDQKGIBBIHEK-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.15
Rot. Bonds9

About methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate

methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate (PubChem CID 62026833) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
PubChem CID62026833
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Namemethyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
SMILESCCCNC(=O)CN(C)C(=O)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C14H27N3O4/c1-6-7-15-12(18)8-16(4)13(19)9-17(11(2)3)10-14(20)21-5/h11H,6-10H2,1-5H3,(H,15,18)
InChIKeyRDNDQKGIBBIHEK-UHFFFAOYSA-N
XLogP-0.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
N-butyl-2-[methyl-[2-[methyl-[2-[methyl(propan-2-yl)amino]acetyl]amino]acetyl]amino]acetamide
CID 177167159
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63065230
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598708
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914805
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350
2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide
CID 75455965
2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
CID 119913381
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate (CID 62026833) is methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate is CCCNC(=O)CN(C)C(=O)CN(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate?
The InChIKey is RDNDQKGIBBIHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-6-7-15-12(18)8-16(4)13(19)9-17(11(2)3)10-14(20)21-5/h11H,6-10H2,1-5H3,(H,15,18).
What are the key properties of methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate?
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate has a molecular weight of 301.39 g/mol, XLogP of -0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62026833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).