N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide

C13H19N3O — CID 54884484

IUPACN-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1N)CC1CC1
InChIInChI=1S/C13H19N3O/c1-16(8-10-6-7-10)9-13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyAZUFPOIGCHOJGC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.55
Rot. Bonds5

About N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide

N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide (PubChem CID 54884484) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
PubChem CID54884484
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1N)CC1CC1
InChIInChI=1S/C13H19N3O/c1-16(8-10-6-7-10)9-13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyAZUFPOIGCHOJGC-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide
CID 61450802
N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861269
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide (CID 54884484) is N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccccc1N)CC1CC1.
What is the InChIKey of N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide?
The InChIKey is AZUFPOIGCHOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(8-10-6-7-10)9-13(17)15-12-5-3-2-4-11(12)14/h2-5,10H,6-9,14H2,1H3,(H,15,17).
What are the key properties of N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide?
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 54884484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).