N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide

C23H29NO2 — CID 1377935

IUPACN,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCc1cc(C)c(C(=O)c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(C)c1
InChIInChI=1S/C23H29NO2/c1-14(2)24(15(3)4)23(26)20-10-8-19(9-11-20)22(25)21-17(6)12-16(5)13-18(21)7/h8-15H,1-7H3
InChIKeyHCHOFZNDRIVSLR-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.10
Rot. Bonds5

About N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide

N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide (PubChem CID 1377935) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide
PubChem CID1377935
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCc1cc(C)c(C(=O)c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(C)c1
InChIInChI=1S/C23H29NO2/c1-14(2)24(15(3)4)23(26)20-10-8-19(9-11-20)22(25)21-17(6)12-16(5)13-18(21)7/h8-15H,1-7H3
InChIKeyHCHOFZNDRIVSLR-UHFFFAOYSA-N
XLogP5.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide?
The IUPAC name of N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide (CID 1377935) is N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide.
What is the SMILES notation for N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide?
The canonical SMILES for N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide is Cc1cc(C)c(C(=O)c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c(C)c1.
What is the InChIKey of N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide?
The InChIKey is HCHOFZNDRIVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-14(2)24(15(3)4)23(26)20-10-8-19(9-11-20)22(25)21-17(6)12-16(5)13-18(21)7/h8-15H,1-7H3.
What are the key properties of N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide?
N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide has a molecular weight of 351.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4-(2,4,6-trimethylbenzoyl)benzamide is sourced from PubChem (CID 1377935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).