4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide

C30H35N3O4 — CID 4944053

IUPAC4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H35N3O4/c1-20(2)18-19-37-26-9-7-6-8-25(26)29(36)33-32-28(35)22-12-16-24(17-13-22)31-27(34)21-10-14-23(15-11-21)30(3,4)5/h6-17,20H,18-19H2,1-5H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyIQUZONUGZOWNEL-UHFFFAOYSA-N
MW501.63 g/mol
LogP5.74
Rot. Bonds8

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

4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide (PubChem CID 4944053) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
PubChem CID4944053
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H35N3O4/c1-20(2)18-19-37-26-9-7-6-8-25(26)29(36)33-32-28(35)22-12-16-24(17-13-22)31-27(34)21-10-14-23(15-11-21)30(3,4)5/h6-17,20H,18-19H2,1-5H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyIQUZONUGZOWNEL-UHFFFAOYSA-N
XLogP5.74
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4943982
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
4-tert-butyl-N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4980574
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
CID 17235052
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide (CID 4944053) is 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide is CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide?
The InChIKey is IQUZONUGZOWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-20(2)18-19-37-26-9-7-6-8-25(26)29(36)33-32-28(35)22-12-16-24(17-13-22)31-27(34)21-10-14-23(15-11-21)30(3,4)5/h6-17,20H,18-19H2,1-5H3,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide?
4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide has a molecular weight of 501.63 g/mol, XLogP of 5.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4944053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).