N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide

C13H20ClN3O2 — CID 61429181

IUPACN-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
SMILESCOCCN(C)C(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-9(17(2)6-7-19-3)13(18)16-12-5-4-10(15)8-11(12)14/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyNYXPIGWIOONSJP-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.83
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide

N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide (PubChem CID 61429181) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
PubChem CID61429181
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
SMILESCOCCN(C)C(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-9(17(2)6-7-19-3)13(18)16-12-5-4-10(15)8-11(12)14/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyNYXPIGWIOONSJP-UHFFFAOYSA-N
XLogP1.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108516132
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
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CID 62985316
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053275
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186146
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373847

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide (CID 61429181) is N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide is COCCN(C)C(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
The InChIKey is NYXPIGWIOONSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9(17(2)6-7-19-3)13(18)16-12-5-4-10(15)8-11(12)14/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide?
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide has a molecular weight of 285.78 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 61429181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).