2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide

C18H25Cl2NO3 — CID 101258326

IUPAC2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide
SMILESC/C=C(/CC(C)C)N(Cc1ccc(OC)cc1OC)C(=O)C(Cl)Cl
InChIInChI=1S/C18H25Cl2NO3/c1-6-14(9-12(2)3)21(18(22)17(19)20)11-13-7-8-15(23-4)10-16(13)24-5/h6-8,10,12,17H,9,11H2,1-5H3/b14-6-
InChIKeyNHIMOUYXJGYNAQ-NSIKDUERSA-N
MW374.31 g/mol
LogP4.79
Rot. Bonds8

About 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide

2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide (PubChem CID 101258326) has the molecular formula C18H25Cl2NO3 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide
PubChem CID101258326
Molecular FormulaC18H25Cl2NO3
Molecular Weight374.31 g/mol
Exact Mass373.12
IUPAC Name2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide
SMILESC/C=C(/CC(C)C)N(Cc1ccc(OC)cc1OC)C(=O)C(Cl)Cl
InChIInChI=1S/C18H25Cl2NO3/c1-6-14(9-12(2)3)21(18(22)17(19)20)11-13-7-8-15(23-4)10-16(13)24-5/h6-8,10,12,17H,9,11H2,1-5H3/b14-6-
InChIKeyNHIMOUYXJGYNAQ-NSIKDUERSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide 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

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-butan-2-yl-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 71107072
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
(2R)-N-(2,5-dichlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 2689350
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide (CID 101258326) is 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide is C/C=C(/CC(C)C)N(Cc1ccc(OC)cc1OC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide?
The InChIKey is NHIMOUYXJGYNAQ-NSIKDUERSA-N. The full InChI is InChI=1S/C18H25Cl2NO3/c1-6-14(9-12(2)3)21(18(22)17(19)20)11-13-7-8-15(23-4)10-16(13)24-5/h6-8,10,12,17H,9,11H2,1-5H3/b14-6-.
What are the key properties of 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide?
2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide has a molecular weight of 374.31 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide is sourced from PubChem (CID 101258326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).