N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide

C14H20N4O — CID 54988249

IUPACN-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
SMILESCCN(CCC#N)CC(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C14H20N4O/c1-3-18(8-4-7-15)10-14(19)17-12-6-5-11(2)13(16)9-12/h5-6,9H,3-4,8,10,16H2,1-2H3,(H,17,19)
InChIKeyIVTZWOXNIIRZEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds6

About N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide

N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide (PubChem CID 54988249) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
PubChem CID54988249
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
SMILESCCN(CCC#N)CC(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C14H20N4O/c1-3-18(8-4-7-15)10-14(19)17-12-6-5-11(2)13(16)9-12/h5-6,9H,3-4,8,10,16H2,1-2H3,(H,17,19)
InChIKeyIVTZWOXNIIRZEB-UHFFFAOYSA-N
XLogP1.75
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(3-amino-4-methylphenyl)-2-[2-ethoxyethyl(ethyl)amino]acetamide
CID 63698404
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
N-(3-amino-4-methylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983055
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(2-chlorophenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54992430
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444928
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide (CID 54988249) is N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide is CCN(CCC#N)CC(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
The InChIKey is IVTZWOXNIIRZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18(8-4-7-15)10-14(19)17-12-6-5-11(2)13(16)9-12/h5-6,9H,3-4,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide?
N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide is sourced from PubChem (CID 54988249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).