3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide

C10H16ClN3O3 — CID 63286811

IUPAC3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide
SMILESCOCCN(CCC#N)C(=O)NC(=O)CCCl
InChIInChI=1S/C10H16ClN3O3/c1-17-8-7-14(6-2-5-12)10(16)13-9(15)3-4-11/h2-4,6-8H2,1H3,(H,13,15,16)
InChIKeyYEYHNLNHQLIYOG-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.71
Rot. Bonds7

About 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide

3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide (PubChem CID 63286811) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide
PubChem CID63286811
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide
SMILESCOCCN(CCC#N)C(=O)NC(=O)CCCl
InChIInChI=1S/C10H16ClN3O3/c1-17-8-7-14(6-2-5-12)10(16)13-9(15)3-4-11/h2-4,6-8H2,1H3,(H,13,15,16)
InChIKeyYEYHNLNHQLIYOG-UHFFFAOYSA-N
XLogP0.71
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
3-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63286955
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268
4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63286688
(2S)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63286518
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756766
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763
3-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]-ethylamino]propanoic acid
CID 63286649
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide (CID 63286811) is 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide is COCCN(CCC#N)C(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide?
The InChIKey is YEYHNLNHQLIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-17-8-7-14(6-2-5-12)10(16)13-9(15)3-4-11/h2-4,6-8H2,1H3,(H,13,15,16).
What are the key properties of 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide?
3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide has a molecular weight of 261.71 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide is sourced from PubChem (CID 63286811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).