2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate

C19H23NO3 — CID 70466936

IUPAC2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCc1ccc(Cc2ccccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-3-20-19(21)23-13-12-15-8-10-16(11-9-15)14-17-6-4-5-7-18(17)22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyAUHZQRWQAPJYER-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.57
Rot. Bonds7

About 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate

2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate (PubChem CID 70466936) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate
PubChem CID70466936
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCc1ccc(Cc2ccccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-3-20-19(21)23-13-12-15-8-10-16(11-9-15)14-17-6-4-5-7-18(17)22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyAUHZQRWQAPJYER-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
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1-ethyl-3-[(2-methoxyphenyl)methyl]urea
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1-methoxy-2-[(4-phenylphenyl)methyl]benzene
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[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
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CID 27756984
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
3-[3-(2-carboxyethyl)-5-[(2-methoxyphenyl)methyl]phenyl]propanoic acid
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2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 95454152
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate (CID 70466936) is 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate is CCNC(=O)OCCc1ccc(Cc2ccccc2OC)cc1.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate?
The InChIKey is AUHZQRWQAPJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-20-19(21)23-13-12-15-8-10-16(11-9-15)14-17-6-4-5-7-18(17)22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate?
2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate has a molecular weight of 313.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate is sourced from PubChem (CID 70466936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).