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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Related Compounds

1-methyl-3-(3-methyl-4-nitrophenyl)-1-[1-(4-methylphenyl)ethyl]urea
CID 112840146
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
tert-butyl N-methyl-N-[1-[4-[(4-methylphenyl)methoxycarbonylamino]phenyl]ethyl]carbamate
CID 171824486
tert-butyl N-[(2S)-2-[methyl-[(4-methylphenyl)carbamoyl]amino]propyl]carbamate
CID 95323148
1-[(1S)-1-[4-(carbamoylamino)phenyl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 94818960
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061147
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 134054275
1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
N-(4-methylphenyl)acetamide
CID 7684

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).