benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate

C21H29NO3 — CID 134874914

IUPACbenzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate
SMILESCCCCc1ccc(CCC[C@@H](C)NC(=O)OCc2ccccc2)o1
InChIInChI=1S/C21H29NO3/c1-3-4-12-19-14-15-20(25-19)13-8-9-17(2)22-21(23)24-16-18-10-6-5-7-11-18/h5-7,10-11,14-15,17H,3-4,8-9,12-13,16H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyOLQJOWKMNKZNQZ-QGZVFWFLSA-N
MW343.47 g/mol
LogP5.26
Rot. Bonds10

About benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate

benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate (PubChem CID 134874914) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate
PubChem CID134874914
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Namebenzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate
SMILESCCCCc1ccc(CCC[C@@H](C)NC(=O)OCc2ccccc2)o1
InChIInChI=1S/C21H29NO3/c1-3-4-12-19-14-15-20(25-19)13-8-9-17(2)22-21(23)24-16-18-10-6-5-7-11-18/h5-7,10-11,14-15,17H,3-4,8-9,12-13,16H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyOLQJOWKMNKZNQZ-QGZVFWFLSA-N
XLogP5.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate (CID 134874914) is benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate is CCCCc1ccc(CCC[C@@H](C)NC(=O)OCc2ccccc2)o1.
What is the InChIKey of benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate?
The InChIKey is OLQJOWKMNKZNQZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29NO3/c1-3-4-12-19-14-15-20(25-19)13-8-9-17(2)22-21(23)24-16-18-10-6-5-7-11-18/h5-7,10-11,14-15,17H,3-4,8-9,12-13,16H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate?
benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate has a molecular weight of 343.47 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 134874914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).