4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide

C29H32N2O4 — CID 17232441

IUPAC4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OCC4CCCO4)cc3)c2)cc1
InChIInChI=1S/C29H32N2O4/c1-29(2,3)22-13-9-20(10-14-22)27(32)30-23-6-4-7-24(18-23)31-28(33)21-11-15-25(16-12-21)35-19-26-8-5-17-34-26/h4,6-7,9-16,18,26H,5,8,17,19H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyIHVFBKNKNUVQQC-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.05
Rot. Bonds7

About 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide

4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 17232441) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
PubChem CID17232441
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OCC4CCCO4)cc3)c2)cc1
InChIInChI=1S/C29H32N2O4/c1-29(2,3)22-13-9-20(10-14-22)27(32)30-23-6-4-7-24(18-23)31-28(33)21-11-15-25(16-12-21)35-19-26-8-5-17-34-26/h4,6-7,9-16,18,26H,5,8,17,19H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyIHVFBKNKNUVQQC-UHFFFAOYSA-N
XLogP6.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide (CID 17232441) is 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OCC4CCCO4)cc3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is IHVFBKNKNUVQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-29(2,3)22-13-9-20(10-14-22)27(32)30-23-6-4-7-24(18-23)31-28(33)21-11-15-25(16-12-21)35-19-26-8-5-17-34-26/h4,6-7,9-16,18,26H,5,8,17,19H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide?
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 17232441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).