N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

C14H20Cl2N2O — CID 62853416

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-17-9-10(2)14(19)18-7-6-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyBUGOKIYRVGDTDY-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62853416) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62853416
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-17-9-10(2)14(19)18-7-6-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyBUGOKIYRVGDTDY-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731937
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (CID 62853416) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is BUGOKIYRVGDTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-17-9-10(2)14(19)18-7-6-11-4-5-12(15)8-13(11)16/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62853416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).