N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide

C20H31Cl2NO3 — CID 154381705

IUPACN-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide
SMILESCCCCOCCCN(Cc1ccc(OCCCC)cc1)C(=O)C(Cl)Cl
InChIInChI=1S/C20H31Cl2NO3/c1-3-5-13-25-14-7-12-23(20(24)19(21)22)16-17-8-10-18(11-9-17)26-15-6-4-2/h8-11,19H,3-7,12-16H2,1-2H3
InChIKeyWVNMYBKKDGZXJX-UHFFFAOYSA-N
MW404.38 g/mol
LogP5.20
Rot. Bonds14

About N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide

N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide (PubChem CID 154381705) has the molecular formula C20H31Cl2NO3 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide
PubChem CID154381705
Molecular FormulaC20H31Cl2NO3
Molecular Weight404.38 g/mol
Exact Mass403.17
IUPAC NameN-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide
SMILESCCCCOCCCN(Cc1ccc(OCCCC)cc1)C(=O)C(Cl)Cl
InChIInChI=1S/C20H31Cl2NO3/c1-3-5-13-25-14-7-12-23(20(24)19(21)22)16-17-8-10-18(11-9-17)26-15-6-4-2/h8-11,19H,3-7,12-16H2,1-2H3
InChIKeyWVNMYBKKDGZXJX-UHFFFAOYSA-N
XLogP5.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide 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

2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 42657339
2-[(4-butoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043977
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
3-(2,4-dimethoxyphenyl)-1-heptyl-1-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]urea
CID 54188863
1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280482
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-benzyl-1-[2-[4-(4-butoxyphenyl)phenoxy]ethyl]-3-methylurea
CID 54220876
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
3-[4-[2-[2-butoxyethyl(cyclopentyloxycarbonyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22233271
3-(4-butoxyphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085289
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide (CID 154381705) is N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide is CCCCOCCCN(Cc1ccc(OCCCC)cc1)C(=O)C(Cl)Cl.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide?
The InChIKey is WVNMYBKKDGZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31Cl2NO3/c1-3-5-13-25-14-7-12-23(20(24)19(21)22)16-17-8-10-18(11-9-17)26-15-6-4-2/h8-11,19H,3-7,12-16H2,1-2H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide?
N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide has a molecular weight of 404.38 g/mol, XLogP of 5.20, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide is sourced from PubChem (CID 154381705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).