N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

C13H20ClN3O2 — CID 79385071

IUPACN-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)O
InChIInChI=1S/C13H20ClN3O2/c1-13(2,19)8-17(3)7-12(18)16-9-4-5-10(14)11(15)6-9/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyYPRAGPGMYIAFCO-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.56
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (PubChem CID 79385071) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
PubChem CID79385071
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)O
InChIInChI=1S/C13H20ClN3O2/c1-13(2,19)8-17(3)7-12(18)16-9-4-5-10(14)11(15)6-9/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyYPRAGPGMYIAFCO-UHFFFAOYSA-N
XLogP1.56
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63982422
N-(3-amino-4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62984614
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
CID 78964466
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587466

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (CID 79385071) is N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(N)c1)CC(C)(C)O.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The InChIKey is YPRAGPGMYIAFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-13(2,19)8-17(3)7-12(18)16-9-4-5-10(14)11(15)6-9/h4-6,19H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide has a molecular weight of 285.78 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is sourced from PubChem (CID 79385071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).