N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C22H29N3O2 — CID 32894951

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)24-22(27)23-13-18-7-10-19(11-8-18)21(26)25(5)14-20-9-6-16(3)12-17(20)4/h6-12,15H,13-14H2,1-5H3,(H2,23,24,27)
InChIKeyLNUGPMOFGMFXBK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.78
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 32894951) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID32894951
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)24-22(27)23-13-18-7-10-19(11-8-18)21(26)25(5)14-20-9-6-16(3)12-17(20)4/h6-12,15H,13-14H2,1-5H3,(H2,23,24,27)
InChIKeyLNUGPMOFGMFXBK-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 32894951) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is LNUGPMOFGMFXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)24-22(27)23-13-18-7-10-19(11-8-18)21(26)25(5)14-20-9-6-16(3)12-17(20)4/h6-12,15H,13-14H2,1-5H3,(H2,23,24,27).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 32894951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).