2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide

C15H22N2O2 — CID 62120917

IUPAC2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C=O)cc1C
InChIInChI=1S/C15H22N2O2/c1-5-17(9-15(19)16-11(2)3)14-7-6-13(10-18)8-12(14)4/h6-8,10-11H,5,9H2,1-4H3,(H,16,19)
InChIKeyBFSCFVNAFJEGII-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.16
Rot. Bonds6

About 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide

2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide (PubChem CID 62120917) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
PubChem CID62120917
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C=O)cc1C
InChIInChI=1S/C15H22N2O2/c1-5-17(9-15(19)16-11(2)3)14-7-6-13(10-18)8-12(14)4/h6-8,10-11H,5,9H2,1-4H3,(H,16,19)
InChIKeyBFSCFVNAFJEGII-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
4-[3-(diethylamino)propyl-ethylamino]-3-methylbenzaldehyde
CID 102994596
3-[4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methylphenyl]prop-2-enoic acid
CID 76936219
3-methyl-4-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 55040300
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
4-[ethyl(pyridin-4-ylmethyl)amino]-3-methylbenzaldehyde
CID 55040153
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
CID 114064086
N-(dicyclopropylmethyl)-2-(N-ethyl-2,4-dimethylanilino)acetamide
CID 55864954
2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide
CID 55039909

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide (CID 62120917) is 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(C=O)cc1C.
What is the InChIKey of 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide?
The InChIKey is BFSCFVNAFJEGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-17(9-15(19)16-11(2)3)14-7-6-13(10-18)8-12(14)4/h6-8,10-11H,5,9H2,1-4H3,(H,16,19).
What are the key properties of 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide?
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 62120917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).