N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide

C13H21N3O2 — CID 54948690

IUPACN-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
SMILESCOCC(C)N(C)CC(=O)Nc1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-10(9-18-3)16(2)8-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyZNAHWVVYPPKNQG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds6

About N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide

N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide (PubChem CID 54948690) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
PubChem CID54948690
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
SMILESCOCC(C)N(C)CC(=O)Nc1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-10(9-18-3)16(2)8-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyZNAHWVVYPPKNQG-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
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-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450431
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane
CID 90713192
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide (CID 54948690) is N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide is COCC(C)N(C)CC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide?
The InChIKey is ZNAHWVVYPPKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(9-18-3)16(2)8-13(17)15-12-7-5-4-6-11(12)14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide?
N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 54948690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).