N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide

C16H21Cl2NO3 — CID 75494892

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CCOC1CCOCC1
InChIInChI=1S/C16H21Cl2NO3/c1-19(11-12-2-3-13(17)10-15(12)18)16(20)6-9-22-14-4-7-21-8-5-14/h2-3,10,14H,4-9,11H2,1H3
InChIKeyIBJCMQXTXNVLQQ-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.54
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide

N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide (PubChem CID 75494892) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide
PubChem CID75494892
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CCOC1CCOCC1
InChIInChI=1S/C16H21Cl2NO3/c1-19(11-12-2-3-13(17)10-15(12)18)16(20)6-9-22-14-4-7-21-8-5-14/h2-3,10,14H,4-9,11H2,1H3
InChIKeyIBJCMQXTXNVLQQ-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394
N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 167972061
N-methyl-N-(1-naphthalen-2-ylethyl)-3-(oxan-4-yloxy)propanamide
CID 75425140
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
CID 120648101
3-[3-(2,4-dichlorophenoxy)propanoyl-(oxan-4-yl)amino]propanoic acid
CID 154750562
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 119659339
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide (CID 75494892) is N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)CCOC1CCOCC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide?
The InChIKey is IBJCMQXTXNVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-19(11-12-2-3-13(17)10-15(12)18)16(20)6-9-22-14-4-7-21-8-5-14/h2-3,10,14H,4-9,11H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide?
N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide has a molecular weight of 346.25 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 75494892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).