2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide

C13H18Cl2N2O2 — CID 55080863

IUPAC2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-19-7-5-12(16)13(18)17-6-4-9-2-3-10(14)8-11(9)15/h2-3,8,12H,4-7,16H2,1H3,(H,17,18)
InChIKeyXTBRAAFCIVWYDY-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.02
Rot. Bonds7

About 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide (PubChem CID 55080863) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
PubChem CID55080863
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-19-7-5-12(16)13(18)17-6-4-9-2-3-10(14)8-11(9)15/h2-3,8,12H,4-7,16H2,1H3,(H,17,18)
InChIKeyXTBRAAFCIVWYDY-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
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-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
2-amino-N-[1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide
CID 21063803
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide (CID 55080863) is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide?
The InChIKey is XTBRAAFCIVWYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-19-7-5-12(16)13(18)17-6-4-9-2-3-10(14)8-11(9)15/h2-3,8,12H,4-7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide?
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide has a molecular weight of 305.20 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 55080863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).