2-[4-formyl-N-(2-methylpropyl)anilino]acetamide

C13H18N2O2 — CID 55003104

IUPAC2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)7-15(8-13(14)17)12-5-3-11(9-16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,14,17)
InChIKeyCQTOFVCNLAQHKI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.45
Rot. Bonds6

About 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide

2-[4-formyl-N-(2-methylpropyl)anilino]acetamide (PubChem CID 55003104) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
PubChem CID55003104
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)7-15(8-13(14)17)12-5-3-11(9-16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,14,17)
InChIKeyCQTOFVCNLAQHKI-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.45
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

3-[4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]phenyl]prop-2-enoic acid
CID 76912201
2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 83132747
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
2-[3-bromo-4-carbamothioyl-N-(2-methylpropyl)anilino]acetamide
CID 107277610
3-[4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methylphenyl]prop-2-enoic acid
CID 76936163
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
1-(N-ethyl-4-formylanilino)propan-2-yl acetate
CID 54221384
2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 104531665
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194

Frequently Asked Questions

What is the IUPAC name of 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide (CID 55003104) is 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide is CC(C)CN(CC(N)=O)c1ccc(C=O)cc1.
What is the InChIKey of 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is CQTOFVCNLAQHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)7-15(8-13(14)17)12-5-3-11(9-16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide?
2-[4-formyl-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-formyl-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 55003104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).