tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate

C22H28N2O4 — CID 9469960

IUPACtert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15-7-12-19(27-6)17(13-15)14-24(5)20(25)16-8-10-18(11-9-16)23-21(26)28-22(2,3)4/h7-13H,14H2,1-6H3,(H,23,26)
InChIKeyPTWLIQSOXHSTQI-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.62
Rot. Bonds5

About tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate

tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate (PubChem CID 9469960) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate
PubChem CID9469960
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15-7-12-19(27-6)17(13-15)14-24(5)20(25)16-8-10-18(11-9-16)23-21(26)28-22(2,3)4/h7-13H,14H2,1-6H3,(H,23,26)
InChIKeyPTWLIQSOXHSTQI-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
tert-butyl N-[4-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9264258
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78948437
tert-butyl N-[3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 31152856
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 41358025
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate (CID 9469960) is tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate is COc1ccc(C)cc1CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate?
The InChIKey is PTWLIQSOXHSTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-7-12-19(27-6)17(13-15)14-24(5)20(25)16-8-10-18(11-9-16)23-21(26)28-22(2,3)4/h7-13H,14H2,1-6H3,(H,23,26).
What are the key properties of tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate?
tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 9469960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).