benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate

C18H19NO4 — CID 122376834

IUPACbenzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate
SMILESCOc1ccc2c(c1)C(C)C(NC(=O)OCc1ccccc1)O2
InChIInChI=1S/C18H19NO4/c1-12-15-10-14(21-2)8-9-16(15)23-17(12)19-18(20)22-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H,19,20)
InChIKeyKPEUICKVFFESMM-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.44
Rot. Bonds4

About benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate

benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate (PubChem CID 122376834) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate
PubChem CID122376834
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namebenzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate
SMILESCOc1ccc2c(c1)C(C)C(NC(=O)OCc1ccccc1)O2
InChIInChI=1S/C18H19NO4/c1-12-15-10-14(21-2)8-9-16(15)23-17(12)19-18(20)22-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H,19,20)
InChIKeyKPEUICKVFFESMM-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S,3R,4R)-4-(4-methoxyphenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]carbamate
CID 177429186
benzyl N-[(2S,3S,4R)-2-cyclopropyl-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 118673216
benzyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
CID 154717658
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
methyl 2,5-dimethyl-6-oxo-4-(phenylmethoxycarbonylamino)oxane-3-carboxylate
CID 14055711
benzyl N-[(2R,3S,4S,5R)-1,6-bis(3,5-dimethoxyphenyl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 10676108
benzyl N-[(2R,3S)-2-(aminomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidin-3-yl]carbamate
CID 118411324
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl 2-iodo-5-methoxybenzoate
CID 172646545

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate?
The IUPAC name of benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate (CID 122376834) is benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate.
What is the SMILES notation for benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate?
The canonical SMILES for benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate is COc1ccc2c(c1)C(C)C(NC(=O)OCc1ccccc1)O2.
What is the InChIKey of benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate?
The InChIKey is KPEUICKVFFESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-15-10-14(21-2)8-9-16(15)23-17(12)19-18(20)22-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H,19,20).
What are the key properties of benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate?
benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate has a molecular weight of 313.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl)carbamate is sourced from PubChem (CID 122376834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).