2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide

C13H20N2O2 — CID 114253086

IUPAC2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
SMILESCOCc1ccc(NCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-13(16)8-14-12-6-4-11(5-7-12)9-17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyRHKWUSDFGXTBAO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds6

About 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide

2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 114253086) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
PubChem CID114253086
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
SMILESCOCc1ccc(NCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-13(16)8-14-12-6-4-11(5-7-12)9-17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyRHKWUSDFGXTBAO-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
2-(4-propanoylanilino)-N-propan-2-ylacetamide
CID 114066654
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide (CID 114253086) is 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide is COCc1ccc(NCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is RHKWUSDFGXTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15-13(16)8-14-12-6-4-11(5-7-12)9-17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide?
2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 114253086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).