benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate

C16H17NO4 — CID 10755704

IUPACbenzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1C(O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO4/c1-20-14-10-6-5-9-13(14)15(18)17-16(19)21-11-12-7-3-2-4-8-12/h2-10,15,18H,11H2,1H3,(H,17,19)
InChIKeyYFPIXAQAJVAJLL-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.61
Rot. Bonds5

About benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate

benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate (PubChem CID 10755704) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
PubChem CID10755704
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namebenzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1C(O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO4/c1-20-14-10-6-5-9-13(14)15(18)17-16(19)21-11-12-7-3-2-4-8-12/h2-10,15,18H,11H2,1H3,(H,17,19)
InChIKeyYFPIXAQAJVAJLL-UHFFFAOYSA-N
XLogP2.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
CID 23420220
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 122214437
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
methyl (E,2S)-4-(2-methoxyphenyl)-2-(phenylmethoxycarbonylamino)but-3-enoate
CID 11792510
methyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 73319978
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18287386
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283

Frequently Asked Questions

What is the IUPAC name of benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate (CID 10755704) is benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate is COc1ccccc1C(O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate?
The InChIKey is YFPIXAQAJVAJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-14-10-6-5-9-13(14)15(18)17-16(19)21-11-12-7-3-2-4-8-12/h2-10,15,18H,11H2,1H3,(H,17,19).
What are the key properties of benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate?
benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 10755704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).