N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide

C15H25N3O2 — CID 62983726

IUPACN-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
SMILESCOCCCN(C)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H25N3O2/c1-11-10-13(16)6-7-14(11)17-15(19)12(2)18(3)8-5-9-20-4/h6-7,10,12H,5,8-9,16H2,1-4H3,(H,17,19)
InChIKeyQHVPUDCRSQNVFV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds7

About N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide

N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide (PubChem CID 62983726) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
PubChem CID62983726
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
SMILESCOCCCN(C)C(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H25N3O2/c1-11-10-13(16)6-7-14(11)17-15(19)12(2)18(3)8-5-9-20-4/h6-7,10,12H,5,8-9,16H2,1-4H3,(H,17,19)
InChIKeyQHVPUDCRSQNVFV-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335489
N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186151
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
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-(2-methoxyethylsulfanyl)propanamide
CID 43382496
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79843396

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide (CID 62983726) is N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide is COCCCN(C)C(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide?
The InChIKey is QHVPUDCRSQNVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-10-13(16)6-7-14(11)17-15(19)12(2)18(3)8-5-9-20-4/h6-7,10,12H,5,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide?
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 7 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-[3-methoxypropyl(methyl)amino]propanamide is sourced from PubChem (CID 62983726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).