benzyl N-(2-benzofuran-5-carboximidoyl)carbamate

C17H14N2O3 — CID 140970983

IUPACbenzyl N-(2-benzofuran-5-carboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCc1ccccc1)c1ccc2cocc2c1
InChIInChI=1S/C17H14N2O3/c18-16(13-6-7-14-10-21-11-15(14)8-13)19-17(20)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H2,18,19,20)
InChIKeyUIVQUTSMDFVLNV-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.68
Rot. Bonds3

About benzyl N-(2-benzofuran-5-carboximidoyl)carbamate

benzyl N-(2-benzofuran-5-carboximidoyl)carbamate (PubChem CID 140970983) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is benzyl N-(2-benzofuran-5-carboximidoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-benzofuran-5-carboximidoyl)carbamate
PubChem CID140970983
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namebenzyl N-(2-benzofuran-5-carboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCc1ccccc1)c1ccc2cocc2c1
InChIInChI=1S/C17H14N2O3/c18-16(13-6-7-14-10-21-11-15(14)8-13)19-17(20)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H2,18,19,20)
InChIKeyUIVQUTSMDFVLNV-UHFFFAOYSA-N
XLogP3.68
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-(N-phenylmethoxycarbonylcarbamimidoyl)naphthalen-2-yl]oxyacetic acid
CID 139662112
benzyl N-[4-[[[(2S)-azetidine-2-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate;hydrochloride
CID 156750733
benzyl N-(C-methoxycarbonimidoyl)carbamate
CID 139267837
ethyl 2-[1-amino-5-[4-(N-phenylmethoxycarbonylcarbamimidoyl)benzoyl]benzimidazol-2-yl]acetate
CID 173316910
3-(N-phenylmethoxycarbonylcarbamimidoyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 140970969
(4-methoxyphenyl)methyl N-[3-benzoyl-4-[[4-(bromomethyl)phenyl]methoxy]benzenecarboximidoyl]carbamate
CID 152771225
ethyl N-(benzenecarboximidoyl)carbamate
CID 137321100
ethyl 5-[6-[N-[(4-methoxyphenyl)methoxycarbonyl]carbamimidoyl]naphthalen-2-yl]oxypentanoate
CID 177447519
benzyl (3R)-3-[3-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)benzoyl]amino]propanoylamino]butanoate
CID 173250399
benzyl N-carbamothioylcarbamate
CID 23366039
3-[[2-[4-[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]phenyl]acetyl]amino]propanoyloxymethyl 2,2-dimethylpropanoate
CID 173363274
methyl (3R,5S)-5-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]pyrrolidine-3-carboxylate;hydrochloride
CID 156751070

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-benzofuran-5-carboximidoyl)carbamate?
The IUPAC name of benzyl N-(2-benzofuran-5-carboximidoyl)carbamate (CID 140970983) is benzyl N-(2-benzofuran-5-carboximidoyl)carbamate.
What is the SMILES notation for benzyl N-(2-benzofuran-5-carboximidoyl)carbamate?
The canonical SMILES for benzyl N-(2-benzofuran-5-carboximidoyl)carbamate is [H]/N=C(\NC(=O)OCc1ccccc1)c1ccc2cocc2c1.
What is the InChIKey of benzyl N-(2-benzofuran-5-carboximidoyl)carbamate?
The InChIKey is UIVQUTSMDFVLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-16(13-6-7-14-10-21-11-15(14)8-13)19-17(20)22-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H2,18,19,20).
What are the key properties of benzyl N-(2-benzofuran-5-carboximidoyl)carbamate?
benzyl N-(2-benzofuran-5-carboximidoyl)carbamate has a molecular weight of 294.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-benzofuran-5-carboximidoyl)carbamate is sourced from PubChem (CID 140970983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).