N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide

C27H30N2O5 — CID 5167403

IUPACN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C27H30N2O5/c1-27(2,3)19-12-10-17(11-13-19)25(30)28-20-8-7-9-21(16-20)29-26(31)18-14-22(32-4)24(34-6)23(15-18)33-5/h7-16H,1-6H3,(H,28,30)(H,29,31)
InChIKeyQXMOUUPSUWMKLO-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.51
Rot. Bonds7

About N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 5167403) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID5167403
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C27H30N2O5/c1-27(2,3)19-12-10-17(11-13-19)25(30)28-20-8-7-9-21(16-20)29-26(31)18-14-22(32-4)24(34-6)23(15-18)33-5/h7-16H,1-6H3,(H,28,30)(H,29,31)
InChIKeyQXMOUUPSUWMKLO-UHFFFAOYSA-N
XLogP5.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 23099206
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 23099208

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide (CID 5167403) is N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is QXMOUUPSUWMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-27(2,3)19-12-10-17(11-13-19)25(30)28-20-8-7-9-21(16-20)29-26(31)18-14-22(32-4)24(34-6)23(15-18)33-5/h7-16H,1-6H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 462.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 5167403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).