N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide

C22H26N2O4 — CID 17362172

IUPACN-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2O)cc1
InChIInChI=1S/C22H26N2O4/c1-22(2,3)15-8-6-14(7-9-15)20(26)24-17-11-10-16(13-18(17)25)23-21(27)19-5-4-12-28-19/h6-11,13,19,25H,4-5,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyIBAQXCQRYVRGDO-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.06
Rot. Bonds4

About N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide

N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide (PubChem CID 17362172) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
PubChem CID17362172
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2O)cc1
InChIInChI=1S/C22H26N2O4/c1-22(2,3)15-8-6-14(7-9-15)20(26)24-17-11-10-16(13-18(17)25)23-21(27)19-5-4-12-28-19/h6-11,13,19,25H,4-5,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyIBAQXCQRYVRGDO-UHFFFAOYSA-N
XLogP4.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 6460297
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 17171637
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide
CID 58729036
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide (CID 17362172) is N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2O)cc1.
What is the InChIKey of N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide?
The InChIKey is IBAQXCQRYVRGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(2,3)15-8-6-14(7-9-15)20(26)24-17-11-10-16(13-18(17)25)23-21(27)19-5-4-12-28-19/h6-11,13,19,25H,4-5,12H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide?
N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 17362172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).