N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide

C22H29ClN2O — CID 42696835

IUPACN-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl
InChIInChI=1S/C22H29ClN2O/c1-3-5-10-18(4-2)22(26)25(16-14-20-12-8-9-15-24-20)17-19-11-6-7-13-21(19)23/h6-9,11-13,15,18H,3-5,10,14,16-17H2,1-2H3
InChIKeyHBLKPZCIAONORN-UHFFFAOYSA-N
MW372.94 g/mol
LogP5.52
Rot. Bonds10

About N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide

N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide (PubChem CID 42696835) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide
PubChem CID42696835
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC NameN-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl
InChIInChI=1S/C22H29ClN2O/c1-3-5-10-18(4-2)22(26)25(16-14-20-12-8-9-15-24-20)17-19-11-6-7-13-21(19)23/h6-9,11-13,15,18H,3-5,10,14,16-17H2,1-2H3
InChIKeyHBLKPZCIAONORN-UHFFFAOYSA-N
XLogP5.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide (CID 42696835) is N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide is CCCCC(CC)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide?
The InChIKey is HBLKPZCIAONORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-3-5-10-18(4-2)22(26)25(16-14-20-12-8-9-15-24-20)17-19-11-6-7-13-21(19)23/h6-9,11-13,15,18H,3-5,10,14,16-17H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide?
N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide has a molecular weight of 372.94 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide is sourced from PubChem (CID 42696835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).