N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide

C16H25N3O2 — CID 63727269

IUPACN-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN(C)CC1CCCOC1
InChIInChI=1S/C16H25N3O2/c1-12-8-14(17)5-6-15(12)18-16(20)10-19(2)9-13-4-3-7-21-11-13/h5-6,8,13H,3-4,7,9-11,17H2,1-2H3,(H,18,20)
InChIKeyWDYKQQONDADSSU-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.87
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide

N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide (PubChem CID 63727269) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
PubChem CID63727269
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN(C)CC1CCCOC1
InChIInChI=1S/C16H25N3O2/c1-12-8-14(17)5-6-15(12)18-16(20)10-19(2)9-13-4-3-7-21-11-13/h5-6,8,13H,3-4,7,9-11,17H2,1-2H3,(H,18,20)
InChIKeyWDYKQQONDADSSU-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide 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-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861269
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
1-(2,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713465
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide (CID 63727269) is N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide is Cc1cc(N)ccc1NC(=O)CN(C)CC1CCCOC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide?
The InChIKey is WDYKQQONDADSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-8-14(17)5-6-15(12)18-16(20)10-19(2)9-13-4-3-7-21-11-13/h5-6,8,13H,3-4,7,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide?
N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.87, 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-[methyl(oxan-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 63727269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).