N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide

C15H22N2O2 — CID 63951302

IUPACN-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H22N2O2/c1-11-10-12(16)5-7-14(11)17-15(18)8-6-13-4-2-3-9-19-13/h5,7,10,13H,2-4,6,8-9,16H2,1H3,(H,17,18)
InChIKeyNRMRJKIOUIKICS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.87
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide

N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide (PubChem CID 63951302) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
PubChem CID63951302
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H22N2O2/c1-11-10-12(16)5-7-14(11)17-15(18)8-6-13-4-2-3-9-19-13/h5,7,10,13H,2-4,6,8-9,16H2,1H3,(H,17,18)
InChIKeyNRMRJKIOUIKICS-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)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-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide
CID 56786530
3-methyl-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157203

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide (CID 63951302) is N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide is Cc1cc(N)ccc1NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is NRMRJKIOUIKICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-12(16)5-7-14(11)17-15(18)8-6-13-4-2-3-9-19-13/h5,7,10,13H,2-4,6,8-9,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide?
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63951302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).