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

C19H28N2O3 — CID 113059012

IUPACN-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-14(22)21(12-11-20-18(23)17-10-7-13-24-17)16-9-6-5-8-15(16)19(2,3)4/h5-6,8-9,17H,7,10-13H2,1-4H3,(H,20,23)
InChIKeyMUYDTZNZPZCDPN-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.63
Rot. Bonds5

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

N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113059012) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
PubChem CID113059012
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-14(22)21(12-11-20-18(23)17-10-7-13-24-17)16-9-6-5-8-15(16)19(2,3)4/h5-6,8-9,17H,7,10-13H2,1-4H3,(H,20,23)
InChIKeyMUYDTZNZPZCDPN-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-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113059053
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide (CID 113059012) is N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is MUYDTZNZPZCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)21(12-11-20-18(23)17-10-7-13-24-17)16-9-6-5-8-15(16)19(2,3)4/h5-6,8-9,17H,7,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-acetyl-2-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-2-tert-butylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113059012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).