N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide

C14H20Cl2N2O — CID 55123171

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-17-8-10(2)14(19)18(3)9-11-5-6-12(15)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyXSSISQKJSJWTEE-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.20
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide

N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (PubChem CID 55123171) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
PubChem CID55123171
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-17-8-10(2)14(19)18(3)9-11-5-6-12(15)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyXSSISQKJSJWTEE-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62839107
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853116

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (CID 55123171) is N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is CCNCC(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The InChIKey is XSSISQKJSJWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-17-8-10(2)14(19)18(3)9-11-5-6-12(15)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 55123171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).