5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide

C12H21ClN2O — CID 60948839

IUPAC5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
SMILESCC(C)CN(CCC#N)C(=O)CCCCCl
InChIInChI=1S/C12H21ClN2O/c1-11(2)10-15(9-5-8-14)12(16)6-3-4-7-13/h11H,3-7,9-10H2,1-2H3
InChIKeyFJMIGZMZVKFVOE-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.79
Rot. Bonds8

About 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide

5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide (PubChem CID 60948839) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
PubChem CID60948839
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
SMILESCC(C)CN(CCC#N)C(=O)CCCCCl
InChIInChI=1S/C12H21ClN2O/c1-11(2)10-15(9-5-8-14)12(16)6-3-4-7-13/h11H,3-7,9-10H2,1-2H3
InChIKeyFJMIGZMZVKFVOE-UHFFFAOYSA-N
XLogP2.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
3-(4-aminophenyl)-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 61114533
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 60949224
N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
CID 62837091
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide (CID 60948839) is 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide is CC(C)CN(CCC#N)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide?
The InChIKey is FJMIGZMZVKFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-11(2)10-15(9-5-8-14)12(16)6-3-4-7-13/h11H,3-7,9-10H2,1-2H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide?
5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide has a molecular weight of 244.77 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 60948839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).