ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate

C17H18N2O4 — CID 17415342

IUPACethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H18N2O4/c1-3-23-17(21)18-13-8-6-7-12(11-13)16(20)19-14-9-4-5-10-15(14)22-2/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFMLQJIFIEPAWJG-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.52
Rot. Bonds5

About ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate (PubChem CID 17415342) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
PubChem CID17415342
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H18N2O4/c1-3-23-17(21)18-13-8-6-7-12(11-13)16(20)19-14-9-4-5-10-15(14)22-2/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFMLQJIFIEPAWJG-UHFFFAOYSA-N
XLogP3.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 52644751
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ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
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N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
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ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
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ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
CID 110178963
N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
CID 50875903
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
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3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate (CID 17415342) is ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is FMLQJIFIEPAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-23-17(21)18-13-8-6-7-12(11-13)16(20)19-14-9-4-5-10-15(14)22-2/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 314.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 17415342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).