N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide

C8H14N2O2 — CID 176975364

IUPACN-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)C(C)C#N
InChIInChI=1S/C8H14N2O2/c1-3-8(12)10(4-5-11)7(2)6-9/h7,11H,3-5H2,1-2H3
InChIKeyXCPCPCGVBSIWGW-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.13
Rot. Bonds4

About N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide

N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 176975364) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID176975364
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)C(C)C#N
InChIInChI=1S/C8H14N2O2/c1-3-8(12)10(4-5-11)7(2)6-9/h7,11H,3-5H2,1-2H3
InChIKeyXCPCPCGVBSIWGW-UHFFFAOYSA-N
XLogP0.13
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanoethyl)-N,3-dimethylpentanamide
CID 114874733
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
1-cyano-N-(2-hydroxyethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 80599574
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
CID 54563283
3-(ethylamino)-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 62838618
2-cyano-N-propan-2-yl-N-propylacetamide
CID 43269670
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 54993846
2,2-diethyl-4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 43578399
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
butane;2-cyanopropanoic acid
CID 87498788
2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
CID 107440314

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide (CID 176975364) is N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide is CCC(=O)N(CCO)C(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is XCPCPCGVBSIWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-8(12)10(4-5-11)7(2)6-9/h7,11H,3-5H2,1-2H3.
What are the key properties of N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide?
N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 170.21 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 176975364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).