N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide

C14H20N4O — CID 55174325

IUPACN-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
SMILESCc1cccc(N)c1NC(=O)CN(C)C(C)CC#N
InChIInChI=1S/C14H20N4O/c1-10-5-4-6-12(16)14(10)17-13(19)9-18(3)11(2)7-8-15/h4-6,11H,7,9,16H2,1-3H3,(H,17,19)
InChIKeyOKXAHEPHFYYQJJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds5

About N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide

N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide (PubChem CID 55174325) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
PubChem CID55174325
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
SMILESCc1cccc(N)c1NC(=O)CN(C)C(C)CC#N
InChIInChI=1S/C14H20N4O/c1-10-5-4-6-12(16)14(10)17-13(19)9-18(3)11(2)7-8-15/h4-6,11H,7,9,16H2,1-3H3,(H,17,19)
InChIKeyOKXAHEPHFYYQJJ-UHFFFAOYSA-N
XLogP1.75
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
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-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587408
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 55175904
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
N-(2-amino-6-methylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444432
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide (CID 55174325) is N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide is Cc1cccc(N)c1NC(=O)CN(C)C(C)CC#N.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
The InChIKey is OKXAHEPHFYYQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-5-4-6-12(16)14(10)17-13(19)9-18(3)11(2)7-8-15/h4-6,11H,7,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 55174325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).