N-tert-butyl-2-(3,4-diethoxyanilino)acetamide

C16H26N2O3 — CID 28576637

IUPACN-tert-butyl-2-(3,4-diethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-6-20-13-9-8-12(10-14(13)21-7-2)17-11-15(19)18-16(3,4)5/h8-10,17H,6-7,11H2,1-5H3,(H,18,19)
InChIKeyLJHFWWIIKYHBDU-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.81
Rot. Bonds7

About N-tert-butyl-2-(3,4-diethoxyanilino)acetamide

N-tert-butyl-2-(3,4-diethoxyanilino)acetamide (PubChem CID 28576637) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-diethoxyanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-diethoxyanilino)acetamide
PubChem CID28576637
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-tert-butyl-2-(3,4-diethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-6-20-13-9-8-12(10-14(13)21-7-2)17-11-15(19)18-16(3,4)5/h8-10,17H,6-7,11H2,1-5H3,(H,18,19)
InChIKeyLJHFWWIIKYHBDU-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8767414
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
CID 43309603
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 51222198
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
methyl 3-(3,4-diethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643707
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-diethoxyanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(3,4-diethoxyanilino)acetamide (CID 28576637) is N-tert-butyl-2-(3,4-diethoxyanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3,4-diethoxyanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(3,4-diethoxyanilino)acetamide is CCOc1ccc(NCC(=O)NC(C)(C)C)cc1OCC.
What is the InChIKey of N-tert-butyl-2-(3,4-diethoxyanilino)acetamide?
The InChIKey is LJHFWWIIKYHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-20-13-9-8-12(10-14(13)21-7-2)17-11-15(19)18-16(3,4)5/h8-10,17H,6-7,11H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(3,4-diethoxyanilino)acetamide?
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-diethoxyanilino)acetamide is sourced from PubChem (CID 28576637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).