benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate

C19H19N3O4 — CID 169472487

IUPACbenzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate
SMILESO=C(C=NO)Nc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H19N3O4/c23-18(13-21-25)22-17-11-5-4-9-16(17)10-6-12-20-19(24)26-14-15-7-2-1-3-8-15/h1-11,13,25H,12,14H2,(H,20,24)(H,22,23)
InChIKeyRXZWFWBNDHSQGD-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.02
Rot. Bonds7

About benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate

benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate (PubChem CID 169472487) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate
PubChem CID169472487
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namebenzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate
SMILESO=C(C=NO)Nc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H19N3O4/c23-18(13-21-25)22-17-11-5-4-9-16(17)10-6-12-20-19(24)26-14-15-7-2-1-3-8-15/h1-11,13,25H,12,14H2,(H,20,24)(H,22,23)
InChIKeyRXZWFWBNDHSQGD-UHFFFAOYSA-N
XLogP3.02
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate (CID 169472487) is benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate is O=C(C=NO)Nc1ccccc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate?
The InChIKey is RXZWFWBNDHSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(13-21-25)22-17-11-5-4-9-16(17)10-6-12-20-19(24)26-14-15-7-2-1-3-8-15/h1-11,13,25H,12,14H2,(H,20,24)(H,22,23).
What are the key properties of benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate has a molecular weight of 353.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).