3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide

C28H32N2O3 — CID 17232374

IUPAC3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C28H32N2O3/c1-5-6-17-33-25-12-7-9-21(18-25)27(32)30-24-11-8-10-23(19-24)29-26(31)20-13-15-22(16-14-20)28(2,3)4/h7-16,18-19H,5-6,17H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyJMFQEOKKVMTQQY-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.67
Rot. Bonds8

About 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide

3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide (PubChem CID 17232374) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
PubChem CID17232374
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C28H32N2O3/c1-5-6-17-33-25-12-7-9-21(18-25)27(32)30-24-11-8-10-23(19-24)29-26(31)20-13-15-22(16-14-20)28(2,3)4/h7-16,18-19H,5-6,17H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyJMFQEOKKVMTQQY-UHFFFAOYSA-N
XLogP6.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.67
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

3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17232554
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide (CID 17232374) is 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1.
What is the InChIKey of 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The InChIKey is JMFQEOKKVMTQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-5-6-17-33-25-12-7-9-21(18-25)27(32)30-24-11-8-10-23(19-24)29-26(31)20-13-15-22(16-14-20)28(2,3)4/h7-16,18-19H,5-6,17H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 17232374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).