N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide

C15H22Cl2N2O2 — CID 111496777

IUPACN-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
SMILESCC(O)CCN(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-11(20)4-5-18(2)10-15(21)19(3)9-12-6-13(16)8-14(17)7-12/h6-8,11,20H,4-5,9-10H2,1-3H3
InChIKeyAZTPPYJDOXZGJM-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.65
Rot. Bonds7

About N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide

N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide (PubChem CID 111496777) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
PubChem CID111496777
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
SMILESCC(O)CCN(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-11(20)4-5-18(2)10-15(21)19(3)9-12-6-13(16)8-14(17)7-12/h6-8,11,20H,4-5,9-10H2,1-3H3
InChIKeyAZTPPYJDOXZGJM-UHFFFAOYSA-N
XLogP2.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111488423
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
CID 54872645
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
(E)-3-[3-[[3-hydroxybutyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 113499840
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
CID 94190668
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496926

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide (CID 111496777) is N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide is CC(O)CCN(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide?
The InChIKey is AZTPPYJDOXZGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-11(20)4-5-18(2)10-15(21)19(3)9-12-6-13(16)8-14(17)7-12/h6-8,11,20H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide?
N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide has a molecular weight of 333.26 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 111496777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).