methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate

C14H28N2O3 — CID 60670456

IUPACmethyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)7-6-8-12(3)15-13(17)9-16(4)10-14(18)19-5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyPPLVGTYPTJIISV-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.42
Rot. Bonds9

About methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate

methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate (PubChem CID 60670456) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
PubChem CID60670456
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)7-6-8-12(3)15-13(17)9-16(4)10-14(18)19-5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyPPLVGTYPTJIISV-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
CID 79652457
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 112548702
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]acetate
CID 55207313
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
methyl 2-[[2-(heptan-2-ylamino)-2-oxoethyl]-propylamino]acetate
CID 62012334
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751
N-(6-methylheptan-2-yl)butanamide
CID 60644759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate (CID 60670456) is methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate is COC(=O)CN(C)CC(=O)NC(C)CCCC(C)C.
What is the InChIKey of methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate?
The InChIKey is PPLVGTYPTJIISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)7-6-8-12(3)15-13(17)9-16(4)10-14(18)19-5/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate?
methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate has a molecular weight of 272.39 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60670456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).