phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate

C18H19NO3 — CID 118593280

IUPACphenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate
SMILESCC/C=C/c1cc(CO)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-3-7-15-12-14(13-20)10-11-17(15)19-18(21)22-16-8-5-4-6-9-16/h3-12,20H,2,13H2,1H3,(H,19,21)/b7-3+
InChIKeyQCZBOWGLYSOXHP-XVNBXDOJSA-N
MW297.35 g/mol
LogP4.21
Rot. Bonds5

About phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate

phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate (PubChem CID 118593280) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate
PubChem CID118593280
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namephenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate
SMILESCC/C=C/c1cc(CO)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-3-7-15-12-14(13-20)10-11-17(15)19-18(21)22-16-8-5-4-6-9-16/h3-12,20H,2,13H2,1H3,(H,19,21)/b7-3+
InChIKeyQCZBOWGLYSOXHP-XVNBXDOJSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-3-[(E)-but-1-enyl]phenyl]methanol
CID 118593284
(2-but-1-enylphenyl)carbamic acid
CID 163942827
(E)-3-[5-(hydroxymethyl)-2-(3-oxobutoxycarbonylamino)phenyl]prop-2-enoic acid
CID 89261224
but-1-ene;ethane;methyl N-[2-[(E)-but-1-enyl]phenyl]carbamate
CID 145294176
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
phenyl 4-[(E)-but-1-enyl]benzoate
CID 19373818
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
phenyl N-(2-fluorophenyl)carbamate
CID 3790948

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate?
The IUPAC name of phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate (CID 118593280) is phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate is CC/C=C/c1cc(CO)ccc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate?
The InChIKey is QCZBOWGLYSOXHP-XVNBXDOJSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-3-7-15-12-14(13-20)10-11-17(15)19-18(21)22-16-8-5-4-6-9-16/h3-12,20H,2,13H2,1H3,(H,19,21)/b7-3+.
What are the key properties of phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate?
phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[(E)-but-1-enyl]-4-(hydroxymethyl)phenyl]carbamate is sourced from PubChem (CID 118593280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).