2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C14H20N2O2 — CID 61430867

IUPAC2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(10-13-3-2-8-18-13)14(17)9-11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyKYUMPBGQULFOBG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61430867) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61430867
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(10-13-3-2-8-18-13)14(17)9-11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyKYUMPBGQULFOBG-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119805627
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
4-[3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686880
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 61430867) is 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KYUMPBGQULFOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-13-3-2-8-18-13)14(17)9-11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10,15H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide 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 2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61430867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).