benzyl N-(4-prop-2-enoxyphenyl)carbamate

C17H17NO3 — CID 4952532

IUPACbenzyl N-(4-prop-2-enoxyphenyl)carbamate
SMILESC=CCOc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-2-12-20-16-10-8-15(9-11-16)18-17(19)21-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,18,19)
InChIKeyKAPPCJABAHRAGN-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.00
Rot. Bonds6

About benzyl N-(4-prop-2-enoxyphenyl)carbamate

benzyl N-(4-prop-2-enoxyphenyl)carbamate (PubChem CID 4952532) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl N-(4-prop-2-enoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-prop-2-enoxyphenyl)carbamate
PubChem CID4952532
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzyl N-(4-prop-2-enoxyphenyl)carbamate
SMILESC=CCOc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-2-12-20-16-10-8-15(9-11-16)18-17(19)21-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,18,19)
InChIKeyKAPPCJABAHRAGN-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
molecular hydrogen;[4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 161029288
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
benzyl N-(4-isocyanatophenyl)carbamate
CID 169355606

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-prop-2-enoxyphenyl)carbamate?
The IUPAC name of benzyl N-(4-prop-2-enoxyphenyl)carbamate (CID 4952532) is benzyl N-(4-prop-2-enoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-prop-2-enoxyphenyl)carbamate?
The canonical SMILES for benzyl N-(4-prop-2-enoxyphenyl)carbamate is C=CCOc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-prop-2-enoxyphenyl)carbamate?
The InChIKey is KAPPCJABAHRAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-12-20-16-10-8-15(9-11-16)18-17(19)21-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,18,19).
What are the key properties of benzyl N-(4-prop-2-enoxyphenyl)carbamate?
benzyl N-(4-prop-2-enoxyphenyl)carbamate has a molecular weight of 283.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-prop-2-enoxyphenyl)carbamate is sourced from PubChem (CID 4952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).