tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate

C17H26N2O3 — CID 27667153

IUPACtert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
SMILESCC(C)CCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-18-15(20)13-7-6-8-14(11-13)19-16(21)22-17(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyKCJVNDLOAOWMJM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.81
Rot. Bonds5

About tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate

tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate (PubChem CID 27667153) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
PubChem CID27667153
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
SMILESCC(C)CCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-18-15(20)13-7-6-8-14(11-13)19-16(21)22-17(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyKCJVNDLOAOWMJM-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate (CID 27667153) is tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate is CC(C)CCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate?
The InChIKey is KCJVNDLOAOWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-10-18-15(20)13-7-6-8-14(11-13)19-16(21)22-17(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate?
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 27667153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).