propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate

C21H26N2O4 — CID 4258206

IUPACpropan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-14(2)26-20(24)22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-21(25)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyULCFANPHZAXCFJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.19
Rot. Bonds6

About propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate

propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate (PubChem CID 4258206) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
PubChem CID4258206
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namepropan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-14(2)26-20(24)22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-21(25)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyULCFANPHZAXCFJ-UHFFFAOYSA-N
XLogP5.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate (CID 4258206) is propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate?
The InChIKey is ULCFANPHZAXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)26-20(24)22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-21(25)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate?
propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 4258206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).