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

C14H20N4O2 — CID 43186146

IUPACN-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N(C)CCC#N
InChIInChI=1S/C14H20N4O2/c1-10(18(2)8-4-7-15)14(19)17-12-6-5-11(16)9-13(12)20-3/h5-6,9-10H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyZXLHIJREFSPHMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.45
Rot. Bonds6

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

N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide (PubChem CID 43186146) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
PubChem CID43186146
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)N(C)CCC#N
InChIInChI=1S/C14H20N4O2/c1-10(18(2)8-4-7-15)14(19)17-12-6-5-11(16)9-13(12)20-3/h5-6,9-10H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyZXLHIJREFSPHMM-UHFFFAOYSA-N
XLogP1.45
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186151
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(4-amino-2-methoxyphenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373847
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
CID 82224746
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide (CID 43186146) is N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide is COc1cc(N)ccc1NC(=O)C(C)N(C)CCC#N.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
The InChIKey is ZXLHIJREFSPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(18(2)8-4-7-15)14(19)17-12-6-5-11(16)9-13(12)20-3/h5-6,9-10H,4,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide?
N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide is sourced from PubChem (CID 43186146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).