N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide

C18H26N2O3 — CID 112997593

IUPACN-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)C2CCOCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)20-16(21)12-19-17(22)13-8-10-23-11-9-13/h4-7,13H,8-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGBIXVOOGUAUVMK-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide

N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide (PubChem CID 112997593) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
PubChem CID112997593
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)C2CCOCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)20-16(21)12-19-17(22)13-8-10-23-11-9-13/h4-7,13H,8-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGBIXVOOGUAUVMK-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 113000138
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide (CID 112997593) is N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide is CC(C)(C)c1ccc(NC(=O)CNC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is GBIXVOOGUAUVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)20-16(21)12-19-17(22)13-8-10-23-11-9-13/h4-7,13H,8-12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide?
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 112997593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).