N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide

C29H34N2O3 — CID 17235052

IUPACN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H34N2O3/c1-5-6-9-20-34-26-11-8-7-10-25(26)28(33)31-24-18-16-23(17-19-24)30-27(32)21-12-14-22(15-13-21)29(2,3)4/h7-8,10-19H,5-6,9,20H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyHPCCRKSCGAAUEI-UHFFFAOYSA-N
MW458.60 g/mol
LogP7.06
Rot. Bonds9

About N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide

N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide (PubChem CID 17235052) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
PubChem CID17235052
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H34N2O3/c1-5-6-9-20-34-26-11-8-7-10-25(26)28(33)31-24-18-16-23(17-19-24)30-27(32)21-12-14-22(15-13-21)29(2,3)4/h7-8,10-19H,5-6,9,20H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyHPCCRKSCGAAUEI-UHFFFAOYSA-N
XLogP7.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944053
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17199737
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide?
The IUPAC name of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide (CID 17235052) is N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide.
What is the SMILES notation for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide?
The canonical SMILES for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide is CCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide?
The InChIKey is HPCCRKSCGAAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-5-6-9-20-34-26-11-8-7-10-25(26)28(33)31-24-18-16-23(17-19-24)30-27(32)21-12-14-22(15-13-21)29(2,3)4/h7-8,10-19H,5-6,9,20H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide?
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide has a molecular weight of 458.60 g/mol, XLogP of 7.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-pentoxybenzamide is sourced from PubChem (CID 17235052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).