2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide

C10H19N3O3 — CID 81088238

IUPAC2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCC#N)C(=O)C(N)COC
InChIInChI=1S/C10H19N3O3/c1-15-7-6-13(5-3-4-11)10(14)9(12)8-16-2/h9H,3,5-8,12H2,1-2H3
InChIKeyZXKLTDVKVBIAAO-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.65
Rot. Bonds8

About 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide

2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide (PubChem CID 81088238) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
PubChem CID81088238
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCC#N)C(=O)C(N)COC
InChIInChI=1S/C10H19N3O3/c1-15-7-6-13(5-3-4-11)10(14)9(12)8-16-2/h9H,3,5-8,12H2,1-2H3
InChIKeyZXKLTDVKVBIAAO-UHFFFAOYSA-N
XLogP-0.65
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-cyanoethyl)-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112850
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
2-amino-N,N-dibutyl-3-methoxypropanamide
CID 81081055
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylpentanamide
CID 104904000
cis-(1R,3S)-3-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114092315
2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 63286555
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 63286552

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide (CID 81088238) is 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide is COCCN(CCC#N)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide?
The InChIKey is ZXKLTDVKVBIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-15-7-6-13(5-3-4-11)10(14)9(12)8-16-2/h9H,3,5-8,12H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide?
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide has a molecular weight of 229.28 g/mol, XLogP of -0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).