2-(5-methoxy-2-methylanilino)-N-propylacetamide

C13H20N2O2 — CID 113256459

IUPAC2-(5-methoxy-2-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(OC)ccc1C
InChIInChI=1S/C13H20N2O2/c1-4-7-14-13(16)9-15-12-8-11(17-3)6-5-10(12)2/h5-6,8,15H,4,7,9H2,1-3H3,(H,14,16)
InChIKeyNIYJJCPJUGIIKL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.94
Rot. Bonds6

About 2-(5-methoxy-2-methylanilino)-N-propylacetamide

2-(5-methoxy-2-methylanilino)-N-propylacetamide (PubChem CID 113256459) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5-methoxy-2-methylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-methoxy-2-methylanilino)-N-propylacetamide
PubChem CID113256459
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(5-methoxy-2-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(OC)ccc1C
InChIInChI=1S/C13H20N2O2/c1-4-7-14-13(16)9-15-12-8-11(17-3)6-5-10(12)2/h5-6,8,15H,4,7,9H2,1-3H3,(H,14,16)
InChIKeyNIYJJCPJUGIIKL-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
2-[(5-methoxy-2-pyridinyl)amino]-N-propylacetamide
CID 106503985
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-(3-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methylanilino)-N-propylacetamide?
The IUPAC name of 2-(5-methoxy-2-methylanilino)-N-propylacetamide (CID 113256459) is 2-(5-methoxy-2-methylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(5-methoxy-2-methylanilino)-N-propylacetamide?
The canonical SMILES for 2-(5-methoxy-2-methylanilino)-N-propylacetamide is CCCNC(=O)CNc1cc(OC)ccc1C.
What is the InChIKey of 2-(5-methoxy-2-methylanilino)-N-propylacetamide?
The InChIKey is NIYJJCPJUGIIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-7-14-13(16)9-15-12-8-11(17-3)6-5-10(12)2/h5-6,8,15H,4,7,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(5-methoxy-2-methylanilino)-N-propylacetamide?
2-(5-methoxy-2-methylanilino)-N-propylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methylanilino)-N-propylacetamide is sourced from PubChem (CID 113256459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).