N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide

C19H28N2O3 — CID 113059087

IUPACN-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-14(22)21(12-11-20-18(23)17-6-5-13-24-17)16-9-7-15(8-10-16)19(2,3)4/h7-10,17H,5-6,11-13H2,1-4H3,(H,20,23)
InChIKeyVDJXFLHBWUUDAH-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113059087) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
PubChem CID113059087
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-14(22)21(12-11-20-18(23)17-6-5-13-24-17)16-9-7-15(8-10-16)19(2,3)4/h7-10,17H,5-6,11-13H2,1-4H3,(H,20,23)
InChIKeyVDJXFLHBWUUDAH-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059012
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide (CID 113059087) is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is VDJXFLHBWUUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)21(12-11-20-18(23)17-6-5-13-24-17)16-9-7-15(8-10-16)19(2,3)4/h7-10,17H,5-6,11-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113059087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).