N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide

C17H26N2O2 — CID 36860148

IUPACN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)12-7-9-13(10-8-12)19-14(20)11-18-15(21)17(4,5)6/h7-10H,11H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyFMLUXOJHVUKQCL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds3

About N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 36860148) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID36860148
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)12-7-9-13(10-8-12)19-14(20)11-18-15(21)17(4,5)6/h7-10H,11H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyFMLUXOJHVUKQCL-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
methyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 9082993
4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43358320
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 36860148) is N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is FMLUXOJHVUKQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)12-7-9-13(10-8-12)19-14(20)11-18-15(21)17(4,5)6/h7-10H,11H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 36860148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).