2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide

C9H21N3O2 — CID 60910441

IUPAC2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)CN(C)C
InChIInChI=1S/C9H21N3O2/c1-4-11-9(14)6-10-5-8(13)7-12(2)3/h8,10,13H,4-7H2,1-3H3,(H,11,14)
InChIKeyOORHZWQJBHXZIS-UHFFFAOYSA-N
MW203.29 g/mol
LogP-1.37
Rot. Bonds7

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

2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide (PubChem CID 60910441) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
PubChem CID60910441
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNCC(O)CN(C)C
InChIInChI=1S/C9H21N3O2/c1-4-11-9(14)6-10-5-8(13)7-12(2)3/h8,10,13H,4-7H2,1-3H3,(H,11,14)
InChIKeyOORHZWQJBHXZIS-UHFFFAOYSA-N
XLogP-1.37
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60902161
N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097
N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxypropyl]amino]acetamide
CID 60909095
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]acetamide
CID 106285867
N-ethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905286
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
N-ethyl-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143284
N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110281363
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-methoxyacetamide
CID 90248628
methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 43566979
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909915

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide (CID 60910441) is 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide is CCNC(=O)CNCC(O)CN(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide?
The InChIKey is OORHZWQJBHXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-4-11-9(14)6-10-5-8(13)7-12(2)3/h8,10,13H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide?
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide has a molecular weight of 203.29 g/mol, XLogP of -1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide is sourced from PubChem (CID 60910441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).