N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide

C14H20N4O — CID 43186151

IUPACN-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N(C)CCC#N
InChIInChI=1S/C14H20N4O/c1-10-9-12(16)5-6-13(10)17-14(19)11(2)18(3)8-4-7-15/h5-6,9,11H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyWCDCNJQNPUMUDZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide

N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide (PubChem CID 43186151) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
PubChem CID43186151
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N(C)CCC#N
InChIInChI=1S/C14H20N4O/c1-10-9-12(16)5-6-13(10)17-14(19)11(2)18(3)8-4-7-15/h5-6,9,11H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyWCDCNJQNPUMUDZ-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-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186146
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335489
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79843396
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide (CID 43186151) is N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide is Cc1cc(N)ccc1NC(=O)C(C)N(C)CCC#N.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
The InChIKey is WCDCNJQNPUMUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-9-12(16)5-6-13(10)17-14(19)11(2)18(3)8-4-7-15/h5-6,9,11H,4,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide 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-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide is sourced from PubChem (CID 43186151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).