1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide

C21H25N3O3 — CID 146600216

IUPAC1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
SMILESCNC(=O)c1c(C)c(C(=O)NC)c(C)c(C(=O)Nc2ccc(C)cc2)c1C
InChIInChI=1S/C21H25N3O3/c1-11-7-9-15(10-8-11)24-21(27)18-13(3)16(19(25)22-5)12(2)17(14(18)4)20(26)23-6/h7-10H,1-6H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBINYCQZCHZJVEE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.89
Rot. Bonds4

About 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide

1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide (PubChem CID 146600216) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
PubChem CID146600216
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
SMILESCNC(=O)c1c(C)c(C(=O)NC)c(C)c(C(=O)Nc2ccc(C)cc2)c1C
InChIInChI=1S/C21H25N3O3/c1-11-7-9-15(10-8-11)24-21(27)18-13(3)16(19(25)22-5)12(2)17(14(18)4)20(26)23-6/h7-10H,1-6H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBINYCQZCHZJVEE-UHFFFAOYSA-N
XLogP2.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
N-(4-methylphenyl)acetamide
CID 7684
N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide
CID 21483159
5-[3-carboxy-4-[(4-methylphenyl)carbamoyl]phenyl]-2-(methylcarbamoyl)benzoic acid
CID 118520306
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide (CID 146600216) is 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide is CNC(=O)c1c(C)c(C(=O)NC)c(C)c(C(=O)Nc2ccc(C)cc2)c1C.
What is the InChIKey of 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide?
The InChIKey is BINYCQZCHZJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-11-7-9-15(10-8-11)24-21(27)18-13(3)16(19(25)22-5)12(2)17(14(18)4)20(26)23-6/h7-10H,1-6H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide?
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 146600216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).