N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide

C17H20N2O2 — CID 28894175

IUPACN-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-4-3-5-16(12-13)21-11-10-17(20)19(2)15-8-6-14(18)7-9-15/h3-9,12H,10-11,18H2,1-2H3
InChIKeyKAQVHYNYLYGEEL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds5

About N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide

N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide (PubChem CID 28894175) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
PubChem CID28894175
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-4-3-5-16(12-13)21-11-10-17(20)19(2)15-8-6-14(18)7-9-15/h3-9,12H,10-11,18H2,1-2H3
InChIKeyKAQVHYNYLYGEEL-UHFFFAOYSA-N
XLogP3.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
CID 62819149
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-(2-bromoethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 80666425
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide (CID 28894175) is N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)N(C)c2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The InChIKey is KAQVHYNYLYGEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-4-3-5-16(12-13)21-11-10-17(20)19(2)15-8-6-14(18)7-9-15/h3-9,12H,10-11,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide?
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 28894175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).