prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate

C14H19NO2 — CID 54220022

IUPACprop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1cccc(CC(C)C)c1
InChIInChI=1S/C14H19NO2/c1-4-8-17-14(16)15-13-7-5-6-12(10-13)9-11(2)3/h4-7,10-11H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyBOEQQVUUZFHNGP-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.62
Rot. Bonds5

About prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate

prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate (PubChem CID 54220022) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate
PubChem CID54220022
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameprop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate
SMILESC=CCOC(=O)Nc1cccc(CC(C)C)c1
InChIInChI=1S/C14H19NO2/c1-4-8-17-14(16)15-13-7-5-6-12(10-13)9-11(2)3/h4-7,10-11H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyBOEQQVUUZFHNGP-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[1-[3-(prop-2-enoxycarbonylamino)phenyl]ethyl] carbonate
CID 139741048
2-propan-2-yloxyethyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309334
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 40626177
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
methyl 2-amino-3-[3-(butoxycarbonylamino)phenyl]propanoate
CID 174533776
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 60586505
2-[3-(2-but-3-enoxypropanoylamino)phenyl]acetic acid
CID 119351982
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate?
The IUPAC name of prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate (CID 54220022) is prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate is C=CCOC(=O)Nc1cccc(CC(C)C)c1.
What is the InChIKey of prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate?
The InChIKey is BOEQQVUUZFHNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-17-14(16)15-13-7-5-6-12(10-13)9-11(2)3/h4-7,10-11H,1,8-9H2,2-3H3,(H,15,16).
What are the key properties of prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate?
prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[3-(2-methylpropyl)phenyl]carbamate is sourced from PubChem (CID 54220022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).