5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide

C14H24ClN3O2 — CID 60949224

IUPAC5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)CCCCCl
InChIInChI=1S/C14H24ClN3O2/c15-5-2-1-4-14(19)18(7-3-6-16)9-8-17-10-12-20-13-11-17/h1-5,7-13H2
InChIKeyHXGZXCDTBINZEF-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.47
Rot. Bonds9

About 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide

5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide (PubChem CID 60949224) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
PubChem CID60949224
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)CCCCCl
InChIInChI=1S/C14H24ClN3O2/c15-5-2-1-4-14(19)18(7-3-6-16)9-8-17-10-12-20-13-11-17/h1-5,7-13H2
InChIKeyHXGZXCDTBINZEF-UHFFFAOYSA-N
XLogP1.47
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-cyanoethyl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 62726448
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082
2-bromo-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 60949087
2-[2-cyanoethyl(2-morpholin-4-ylethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60952404
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 78799320
2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 86978269
5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
CID 60948839
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 134014764
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide (CID 60949224) is 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide is N#CCCN(CCN1CCOCC1)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide?
The InChIKey is HXGZXCDTBINZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c15-5-2-1-4-14(19)18(7-3-6-16)9-8-17-10-12-20-13-11-17/h1-5,7-13H2.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide?
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide has a molecular weight of 301.82 g/mol, XLogP of 1.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 60949224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).