2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide

C7H16N2O3 — CID 60901605

IUPAC2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-9(2)7(12)4-8-3-6(11)5-10/h6,8,10-11H,3-5H2,1-2H3
InChIKeyUJUCUIDNRRVZMY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.98
Rot. Bonds5

About 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide

2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide (PubChem CID 60901605) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
PubChem CID60901605
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-9(2)7(12)4-8-3-6(11)5-10/h6,8,10-11H,3-5H2,1-2H3
InChIKeyUJUCUIDNRRVZMY-UHFFFAOYSA-N
XLogP-1.98
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.98
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
2-(2-hydroxypropylamino)-N,N-dimethylacetamide
CID 43392843
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-N,N-dimethylacetamide
CID 60901800
N,N-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905460
3-[2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83120613
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
ethyl 2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoate
CID 103256238
2-(2,3-dihydroxypropylamino)-N-(3-methylbutan-2-yl)acetamide
CID 66171224
2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoic acid
CID 103256228
ethane;2-(ethylamino)-N,N-dimethylacetamide
CID 162757499

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide (CID 60901605) is 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide is CN(C)C(=O)CNCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide?
The InChIKey is UJUCUIDNRRVZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-9(2)7(12)4-8-3-6(11)5-10/h6,8,10-11H,3-5H2,1-2H3.
What are the key properties of 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide?
2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide has a molecular weight of 176.22 g/mol, XLogP of -1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 60901605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).