N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide

C9H17N3O2 — CID 62333195

IUPACN-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
SMILESCC(O)CN(C)CC(=O)NCCC#N
InChIInChI=1S/C9H17N3O2/c1-8(13)6-12(2)7-9(14)11-5-3-4-10/h8,13H,3,5-7H2,1-2H3,(H,11,14)
InChIKeyMTVSQTCRUHWONC-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.67
Rot. Bonds6

About N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide

N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide (PubChem CID 62333195) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
PubChem CID62333195
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
SMILESCC(O)CN(C)CC(=O)NCCC#N
InChIInChI=1S/C9H17N3O2/c1-8(13)6-12(2)7-9(14)11-5-3-4-10/h8,13H,3,5-7H2,1-2H3,(H,11,14)
InChIKeyMTVSQTCRUHWONC-UHFFFAOYSA-N
XLogP-0.67
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]acetic acid
CID 43442289
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 18124296
2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 43509540
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
3-[[2-(2-cyanoethylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925711
2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821797
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
N-(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18124279
2-[tert-butyl-[2-(2-cyanoethylamino)-2-oxoethyl]amino]acetic acid
CID 79269459

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide (CID 62333195) is N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide is CC(O)CN(C)CC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The InChIKey is MTVSQTCRUHWONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(13)6-12(2)7-9(14)11-5-3-4-10/h8,13H,3,5-7H2,1-2H3,(H,11,14).
What are the key properties of N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide has a molecular weight of 199.25 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide is sourced from PubChem (CID 62333195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).