2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide

C14H21N3O2 — CID 63098177

IUPAC2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOCC1)c1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-17(13-4-2-3-11(15)9-13)10-14(18)16-12-5-7-19-8-6-12/h2-4,9,12H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyWUQLNGDLNKQPEI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.00
Rot. Bonds4

About 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide

2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide (PubChem CID 63098177) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
PubChem CID63098177
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOCC1)c1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-17(13-4-2-3-11(15)9-13)10-14(18)16-12-5-7-19-8-6-12/h2-4,9,12H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyWUQLNGDLNKQPEI-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.00
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

2-(3-amino-N-ethylanilino)-N-cyclopentylacetamide
CID 55175748
3-N-methyl-3-N-[2-(oxan-4-yl)ethyl]benzene-1,3-diamine
CID 117041035
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208
2-[3-chloro-N-(oxan-4-ylcarbamoyl)anilino]acetic acid
CID 61202601
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
2-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-cyclopropylacetamide
CID 113295386
2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
CID 102636606
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide (CID 63098177) is 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide is CN(CC(=O)NC1CCOCC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide?
The InChIKey is WUQLNGDLNKQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(13-4-2-3-11(15)9-13)10-14(18)16-12-5-7-19-8-6-12/h2-4,9,12H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide?
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63098177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).