ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate

C14H20N2O3 — CID 143723978

IUPACethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc(CNC=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(18)14(2,3)16-12-7-5-11(6-8-12)9-15-10-17/h5-8,10,16H,4,9H2,1-3H3,(H,15,17)
InChIKeyHRQPZIFHCYLCAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds7

About ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate

ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate (PubChem CID 143723978) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate
PubChem CID143723978
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Nc1ccc(CNC=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(18)14(2,3)16-12-7-5-11(6-8-12)9-15-10-17/h5-8,10,16H,4,9H2,1-3H3,(H,15,17)
InChIKeyHRQPZIFHCYLCAL-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-2-[4-(2-trimethylsilylethynyl)anilino]propanoate
CID 156809133
ethyl 4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]benzoate
CID 23623126
ethyl 2-[4-(6-amino-2-pyridinyl)anilino]-2-methylpropanoate
CID 156541037
2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
CID 143561250
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
CID 115128693
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
CID 115128672
ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
2-trimethylsilyloxyethyl 2-anilino-2-methylpropanoate
CID 122215971
ethyl 5-[4-(5-ethoxy-4,4-dimethyl-5-oxopentyl)phenyl]-2,2-dimethylpentanoate
CID 15721442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate (CID 143723978) is ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate is CCOC(=O)C(C)(C)Nc1ccc(CNC=O)cc1.
What is the InChIKey of ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate?
The InChIKey is HRQPZIFHCYLCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13(18)14(2,3)16-12-7-5-11(6-8-12)9-15-10-17/h5-8,10,16H,4,9H2,1-3H3,(H,15,17).
What are the key properties of ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate?
ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate is sourced from PubChem (CID 143723978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).