N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide

C14H20N2O3 — CID 119419889

IUPACN-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCOC2)cc1N
InChIInChI=1S/C14H20N2O3/c1-18-13-4-3-11(8-12(13)15)16-14(17)5-2-10-6-7-19-9-10/h3-4,8,10H,2,5-7,9,15H2,1H3,(H,16,17)
InChIKeyBEDJYJPLLOIFJO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.03
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide

N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide (PubChem CID 119419889) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
PubChem CID119419889
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCOC2)cc1N
InChIInChI=1S/C14H20N2O3/c1-18-13-4-3-11(8-12(13)15)16-14(17)5-2-10-6-7-19-9-10/h3-4,8,10H,2,5-7,9,15H2,1H3,(H,16,17)
InChIKeyBEDJYJPLLOIFJO-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.03
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-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide
CID 119051199
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(3-amino-4-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide;hydrochloride
CID 119419882
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 25367693

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide (CID 119419889) is N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide is COc1ccc(NC(=O)CCC2CCOC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide?
The InChIKey is BEDJYJPLLOIFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-4-3-11(8-12(13)15)16-14(17)5-2-10-6-7-19-9-10/h3-4,8,10H,2,5-7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide?
N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide is sourced from PubChem (CID 119419889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).