4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide

C25H26N2O2 — CID 109048603

IUPAC4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-19(2)27(18-20-10-6-4-7-11-20)25(29)22-16-14-21(15-17-22)24(28)26(3)23-12-8-5-9-13-23/h4-17,19H,18H2,1-3H3
InChIKeyLAMCBPZELFHQJN-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.01
Rot. Bonds6

About 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide

4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide (PubChem CID 109048603) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
PubChem CID109048603
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-19(2)27(18-20-10-6-4-7-11-20)25(29)22-16-14-21(15-17-22)24(28)26(3)23-12-8-5-9-13-23/h4-17,19H,18H2,1-3H3
InChIKeyLAMCBPZELFHQJN-UHFFFAOYSA-N
XLogP5.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 30100120
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide (CID 109048603) is 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
The InChIKey is LAMCBPZELFHQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19(2)27(18-20-10-6-4-7-11-20)25(29)22-16-14-21(15-17-22)24(28)26(3)23-12-8-5-9-13-23/h4-17,19H,18H2,1-3H3.
What are the key properties of 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide?
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).