tert-butyl N-(4-butanoylphenyl)carbamate

C15H21NO3 — CID 69331401

IUPACtert-butyl N-(4-butanoylphenyl)carbamate
SMILESCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-5-6-13(17)11-7-9-12(10-8-11)16-14(18)19-15(2,3)4/h7-10H,5-6H2,1-4H3,(H,16,18)
InChIKeyCRTNKMQRSMECPL-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.02
Rot. Bonds4

About tert-butyl N-(4-butanoylphenyl)carbamate

tert-butyl N-(4-butanoylphenyl)carbamate (PubChem CID 69331401) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(4-butanoylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-butanoylphenyl)carbamate
PubChem CID69331401
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(4-butanoylphenyl)carbamate
SMILESCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-5-6-13(17)11-7-9-12(10-8-11)16-14(18)19-15(2,3)4/h7-10H,5-6H2,1-4H3,(H,16,18)
InChIKeyCRTNKMQRSMECPL-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-4-oxobutanoic acid
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tert-butyl N-[4-[2-(3-iodophenyl)acetyl]phenyl]carbamate
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tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
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tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
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tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
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tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
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tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-butanoylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-butanoylphenyl)carbamate (CID 69331401) is tert-butyl N-(4-butanoylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-butanoylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-butanoylphenyl)carbamate is CCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-butanoylphenyl)carbamate?
The InChIKey is CRTNKMQRSMECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-6-13(17)11-7-9-12(10-8-11)16-14(18)19-15(2,3)4/h7-10H,5-6H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(4-butanoylphenyl)carbamate?
tert-butyl N-(4-butanoylphenyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-butanoylphenyl)carbamate is sourced from PubChem (CID 69331401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).