2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide

C12H23N3O4 — CID 60686591

IUPAC2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CN(CCO)CCO
InChIInChI=1S/C12H23N3O4/c1-14(8-11(18)13-10-2-3-10)12(19)9-15(4-6-16)5-7-17/h10,16-17H,2-9H2,1H3,(H,13,18)
InChIKeyIDUTUFRRXCAKET-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.99
Rot. Bonds9

About 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 60686591) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
PubChem CID60686591
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CN(CCO)CCO
InChIInChI=1S/C12H23N3O4/c1-14(8-11(18)13-10-2-3-10)12(19)9-15(4-6-16)5-7-17/h10,16-17H,2-9H2,1H3,(H,13,18)
InChIKeyIDUTUFRRXCAKET-UHFFFAOYSA-N
XLogP-1.99
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476
N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
CID 79682428
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
2-[[2-(2-aminoethoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 79473534
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
2-[[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 116653040
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide (CID 60686591) is 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C(=O)CN(CCO)CCO.
What is the InChIKey of 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is IDUTUFRRXCAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-14(8-11(18)13-10-2-3-10)12(19)9-15(4-6-16)5-7-17/h10,16-17H,2-9H2,1H3,(H,13,18).
What are the key properties of 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 273.33 g/mol, XLogP of -1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 60686591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).