N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide

C14H20N2O2 — CID 65152624

IUPACN-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCN(C(=O)CCC1CCCO1)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(12-6-4-11(15)5-7-12)14(17)9-8-13-3-2-10-18-13/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyMEGHNIQQVSFCIZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds4

About N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide

N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide (PubChem CID 65152624) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
PubChem CID65152624
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCN(C(=O)CCC1CCCO1)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(12-6-4-11(15)5-7-12)14(17)9-8-13-3-2-10-18-13/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyMEGHNIQQVSFCIZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
CID 65162618
N-methyl-2-(oxolan-2-yl)-N-(4-sulfamoylphenyl)acetamide
CID 65159263
N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
CID 65157552
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
CID 116605212
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
CID 65159707

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide (CID 65152624) is N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide is CN(C(=O)CCC1CCCO1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide?
The InChIKey is MEGHNIQQVSFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(12-6-4-11(15)5-7-12)14(17)9-8-13-3-2-10-18-13/h4-7,13H,2-3,8-10,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide?
N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65152624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).