2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide

C17H26ClNO2 — CID 10638812

IUPAC2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide
SMILESCCCCC(Cl)(C(=O)N(CC)CC)C(O)c1ccccc1
InChIInChI=1S/C17H26ClNO2/c1-4-7-13-17(18,16(21)19(5-2)6-3)15(20)14-11-9-8-10-12-14/h8-12,15,20H,4-7,13H2,1-3H3
InChIKeyUUWKZQDDMYFLET-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.76
Rot. Bonds8

About 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide

2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide (PubChem CID 10638812) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide
PubChem CID10638812
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide
SMILESCCCCC(Cl)(C(=O)N(CC)CC)C(O)c1ccccc1
InChIInChI=1S/C17H26ClNO2/c1-4-7-13-17(18,16(21)19(5-2)6-3)15(20)14-11-9-8-10-12-14/h8-12,15,20H,4-7,13H2,1-3H3
InChIKeyUUWKZQDDMYFLET-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide 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

methyl 2-chloro-2-[hydroxy(phenyl)methyl]hexanoate
CID 10707211
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
CID 112795257
methyl (2R)-3,3-dimethyl-2-phenylheptanoate
CID 101030842
(E,1S,2S)-2-butyl-2-methyl-1-phenylhex-3-en-1-ol
CID 102326663
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
2-bromo-2-chloro-2-ethylsulfonyl-1-phenylethanol
CID 102550237
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
N,N-bis(1-deuteriobutyl)-2-hydroxy-2-phenylacetamide
CID 57313038
1-chloro-1-phenyldecan-2-one
CID 81235866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide?
The IUPAC name of 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide (CID 10638812) is 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide?
The canonical SMILES for 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide is CCCCC(Cl)(C(=O)N(CC)CC)C(O)c1ccccc1.
What is the InChIKey of 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide?
The InChIKey is UUWKZQDDMYFLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-4-7-13-17(18,16(21)19(5-2)6-3)15(20)14-11-9-8-10-12-14/h8-12,15,20H,4-7,13H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide?
2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide has a molecular weight of 311.85 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-2-[hydroxy(phenyl)methyl]hexanamide is sourced from PubChem (CID 10638812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).