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

C15H22N2O3 — CID 63953371

IUPACN-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
SMILESCOc1cc(NC(=O)CCC2CCCCO2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-19-14-10-11(5-7-13(14)16)17-15(18)8-6-12-4-2-3-9-20-12/h5,7,10,12H,2-4,6,8-9,16H2,1H3,(H,17,18)
InChIKeyCUUWVBPQGPOZNI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.57
Rot. Bonds5

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

N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide (PubChem CID 63953371) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
PubChem CID63953371
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
SMILESCOc1cc(NC(=O)CCC2CCCCO2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-19-14-10-11(5-7-13(14)16)17-15(18)8-6-12-4-2-3-9-20-12/h5,7,10,12H,2-4,6,8-9,16H2,1H3,(H,17,18)
InChIKeyCUUWVBPQGPOZNI-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
CID 63953098
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
oxan-2-ylmethyl 4-amino-3-methoxybenzoate
CID 104783910
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide (CID 63953371) is N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide is COc1cc(NC(=O)CCC2CCCCO2)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is CUUWVBPQGPOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-10-11(5-7-13(14)16)17-15(18)8-6-12-4-2-3-9-20-12/h5,7,10,12H,2-4,6,8-9,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide?
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63953371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).