2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate

C22H28N2O4 — CID 18877627

IUPAC2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2ccc(NC(=O)OCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)13-27-21(25)23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-22(26)28-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLOAZUDVFOFOGQE-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.76
Rot. Bonds7

About 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate

2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate (PubChem CID 18877627) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
PubChem CID18877627
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2ccc(NC(=O)OCC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)13-27-21(25)23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-22(26)28-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLOAZUDVFOFOGQE-UHFFFAOYSA-N
XLogP5.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
2-methylpropyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
CID 62302077
[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate
CID 150585771
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
CID 155739096
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate (CID 18877627) is 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate is CC(C)COC(=O)Nc1ccc(-c2ccc(NC(=O)OCC(C)C)cc2)cc1.
What is the InChIKey of 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate?
The InChIKey is LOAZUDVFOFOGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)13-27-21(25)23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-22(26)28-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate?
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate is sourced from PubChem (CID 18877627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).