3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide

C14H20N2O2 — CID 82740888

IUPAC3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
SMILESCN(C(=O)CCc1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H20N2O2/c1-16(13-7-8-18-10-13)14(17)6-5-11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,15H2,1H3
InChIKeyRHATXXINOYWGMU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds4

About 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide

3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide (PubChem CID 82740888) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
PubChem CID82740888
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
SMILESCN(C(=O)CCc1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H20N2O2/c1-16(13-7-8-18-10-13)14(17)6-5-11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,15H2,1H3
InChIKeyRHATXXINOYWGMU-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
oxolan-3-yl 3-(3-aminophenyl)propanoate
CID 80700797
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
CID 63558781
3-(2-aminophenoxy)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740805
(E)-3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 82738879
N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
CID 63559150
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
4-amino-N-methyl-N-(oxolan-3-yl)-4-phenylbutanamide
CID 81489574
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide (CID 82740888) is 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide is CN(C(=O)CCc1cccc(N)c1)C1CCOC1.
What is the InChIKey of 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide?
The InChIKey is RHATXXINOYWGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(13-7-8-18-10-13)14(17)6-5-11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,15H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide?
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 82740888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).