carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide

C25H28N2O4 — CID 144783368

IUPACcarbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCNc1cccc(C(=O)NCc2ccc(C)cc2)c1.COc1ccc(C)cc1.O=C=O
InChIInChI=1S/C16H18N2O.C8H10O.CO2/c1-12-6-8-13(9-7-12)11-18-16(19)14-4-3-5-15(10-14)17-2;1-7-3-5-8(9-2)6-4-7;2-1-3/h3-10,17H,11H2,1-2H3,(H,18,19);3-6H,1-2H3;
InChIKeyKIXJZGQOFDLUOU-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.39
Rot. Bonds5

About carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide

carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 144783368) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Namecarbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID144783368
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Namecarbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCNc1cccc(C(=O)NCc2ccc(C)cc2)c1.COc1ccc(C)cc1.O=C=O
InChIInChI=1S/C16H18N2O.C8H10O.CO2/c1-12-6-8-13(9-7-12)11-18-16(19)14-4-3-5-15(10-14)17-2;1-7-3-5-8(9-2)6-4-7;2-1-3/h3-10,17H,11H2,1-2H3,(H,18,19);3-6H,1-2H3;
InChIKeyKIXJZGQOFDLUOU-UHFFFAOYSA-N
XLogP4.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-benzyl-3-[(4-methoxyphenyl)carbamothioylamino]benzamide
CID 17262330
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide (CID 144783368) is carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide is CNc1cccc(C(=O)NCc2ccc(C)cc2)c1.COc1ccc(C)cc1.O=C=O.
What is the InChIKey of carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is KIXJZGQOFDLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C8H10O.CO2/c1-12-6-8-13(9-7-12)11-18-16(19)14-4-3-5-15(10-14)17-2;1-7-3-5-8(9-2)6-4-7;2-1-3/h3-10,17H,11H2,1-2H3,(H,18,19);3-6H,1-2H3;.
What are the key properties of carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 144783368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).