4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide

C28H40N2O2 — CID 3415356

IUPAC4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H40N2O2/c1-27(2,3)23-15-11-21(12-16-23)25(31)29-19-9-7-8-10-20-30-26(32)22-13-17-24(18-14-22)28(4,5)6/h11-18H,7-10,19-20H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyWTTWEJPFWWTSSA-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.00
Rot. Bonds9

About 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide

4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide (PubChem CID 3415356) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
PubChem CID3415356
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H40N2O2/c1-27(2,3)23-15-11-21(12-16-23)25(31)29-19-9-7-8-10-20-30-26(32)22-13-17-24(18-14-22)28(4,5)6/h11-18H,7-10,19-20H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyWTTWEJPFWWTSSA-UHFFFAOYSA-N
XLogP6.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-nonylbenzamide
CID 4642451
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CID 4156706
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CID 108934829
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
CID 131885807
CID 131885807
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide (CID 3415356) is 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide?
The InChIKey is WTTWEJPFWWTSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-27(2,3)23-15-11-21(12-16-23)25(31)29-19-9-7-8-10-20-30-26(32)22-13-17-24(18-14-22)28(4,5)6/h11-18H,7-10,19-20H2,1-6H3,(H,29,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide?
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide has a molecular weight of 436.64 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide is sourced from PubChem (CID 3415356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).