N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide

C11H21N3O3 — CID 110281363

IUPACN-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCN(C)CC(O)CNC(=O)CNC(=O)C1CC1
InChIInChI=1S/C11H21N3O3/c1-14(2)7-9(15)5-12-10(16)6-13-11(17)8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyAENBKEPRQLLWEB-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.45
Rot. Bonds7

About N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 110281363) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID110281363
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCN(C)CC(O)CNC(=O)CNC(=O)C1CC1
InChIInChI=1S/C11H21N3O3/c1-14(2)7-9(15)5-12-10(16)6-13-11(17)8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyAENBKEPRQLLWEB-UHFFFAOYSA-N
XLogP-1.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxypropyl]amino]acetamide
CID 60909095
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-methoxyacetamide
CID 90248628
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94191433
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60910441
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
CID 166075449
N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1-propanoylpiperidine-4-carboxamide
CID 131910920
2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
CID 110281459
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 110281363) is N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide is CN(C)CC(O)CNC(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is AENBKEPRQLLWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-14(2)7-9(15)5-12-10(16)6-13-11(17)8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110281363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).