ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate

C19H23N3O3 — CID 60568186

IUPACethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-4-25-19(24)22(3)17-11-9-16(10-12-17)21-18(23)20-13-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H2,20,21,23)
InChIKeyQBMBBUDUPNWBJX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.91
Rot. Bonds5

About ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate

ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate (PubChem CID 60568186) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
PubChem CID60568186
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-4-25-19(24)22(3)17-11-9-16(10-12-17)21-18(23)20-13-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H2,20,21,23)
InChIKeyQBMBBUDUPNWBJX-UHFFFAOYSA-N
XLogP3.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate
CID 47070316
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
CID 86862691
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate (CID 60568186) is ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate is CCOC(=O)N(C)c1ccc(NC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate?
The InChIKey is QBMBBUDUPNWBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-25-19(24)22(3)17-11-9-16(10-12-17)21-18(23)20-13-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H2,20,21,23).
What are the key properties of ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate?
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 60568186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).