N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide

C20H25N3O2 — CID 71931370

IUPACN-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(NC(=O)N(C)C(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-5-9-18(10-6-14)15(2)23(4)20(25)22-19-11-7-17(8-12-19)13-21-16(3)24/h5-12,15H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyALJNXGCHESQZBU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds5

About N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide

N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide (PubChem CID 71931370) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide
PubChem CID71931370
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(NC(=O)N(C)C(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-5-9-18(10-6-14)15(2)23(4)20(25)22-19-11-7-17(8-12-19)13-21-16(3)24/h5-12,15H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyALJNXGCHESQZBU-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide (CID 71931370) is N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide is CC(=O)NCc1ccc(NC(=O)N(C)C(C)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide?
The InChIKey is ALJNXGCHESQZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-5-9-18(10-6-14)15(2)23(4)20(25)22-19-11-7-17(8-12-19)13-21-16(3)24/h5-12,15H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide?
N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 71931370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).