benzyl N-(4-phenylbutanoyl)carbamate

C18H19NO3 — CID 15317636

IUPACbenzyl N-(4-phenylbutanoyl)carbamate
SMILESO=C(CCCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(13-7-12-15-8-3-1-4-9-15)19-18(21)22-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,19,20,21)
InChIKeyNUJGOFQEKROAEO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.46
Rot. Bonds6

About benzyl N-(4-phenylbutanoyl)carbamate

benzyl N-(4-phenylbutanoyl)carbamate (PubChem CID 15317636) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-(4-phenylbutanoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-phenylbutanoyl)carbamate
PubChem CID15317636
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-(4-phenylbutanoyl)carbamate
SMILESO=C(CCCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-17(13-7-12-15-8-3-1-4-9-15)19-18(21)22-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,19,20,21)
InChIKeyNUJGOFQEKROAEO-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2755911
CID 2755911
CID 14655218
CID 14655218
CID 7021150
CID 7021150
CID 2974355
CID 2974355
CID 563203
CID 563203
CID 47328
CID 47328
CID 47329
CID 47329
CID 13386706
CID 13386706
CID 21158904
CID 21158904
CID 15488851
CID 15488851
CID 25167902
CID 25167902
CID 73348858
CID 73348858

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-phenylbutanoyl)carbamate?
The IUPAC name of benzyl N-(4-phenylbutanoyl)carbamate (CID 15317636) is benzyl N-(4-phenylbutanoyl)carbamate.
What is the SMILES notation for benzyl N-(4-phenylbutanoyl)carbamate?
The canonical SMILES for benzyl N-(4-phenylbutanoyl)carbamate is O=C(CCCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-phenylbutanoyl)carbamate?
The InChIKey is NUJGOFQEKROAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(13-7-12-15-8-3-1-4-9-15)19-18(21)22-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,19,20,21).
What are the key properties of benzyl N-(4-phenylbutanoyl)carbamate?
benzyl N-(4-phenylbutanoyl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-phenylbutanoyl)carbamate is sourced from PubChem (CID 15317636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).