N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide

C13H20ClN3O2 — CID 62985316

IUPACN-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
SMILESCOCCCN(C)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-17(6-3-7-19-2)9-13(18)16-12-5-4-10(15)8-11(12)14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyVEQNZIWCBXTXML-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.83
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide

N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide (PubChem CID 62985316) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
PubChem CID62985316
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
SMILESCOCCCN(C)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-17(6-3-7-19-2)9-13(18)16-12-5-4-10(15)8-11(12)14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyVEQNZIWCBXTXML-UHFFFAOYSA-N
XLogP1.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108516132
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
N-(4-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421626
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide (CID 62985316) is N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide is COCCCN(C)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide?
The InChIKey is VEQNZIWCBXTXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-17(6-3-7-19-2)9-13(18)16-12-5-4-10(15)8-11(12)14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide?
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide has a molecular weight of 285.78 g/mol, XLogP of 1.83, 7 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-[3-methoxypropyl(methyl)amino]acetamide is sourced from PubChem (CID 62985316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).