2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate

C19H20F2N2O4 — CID 47741134

IUPAC2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)CCc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O4/c1-26-10-11-27-19(25)23-14-5-2-4-13(12-14)22-18(24)9-8-15-16(20)6-3-7-17(15)21/h2-7,12H,8-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLAPNQRZFWTUAGW-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.73
Rot. Bonds8

About 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate

2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate (PubChem CID 47741134) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate
PubChem CID47741134
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)CCc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O4/c1-26-10-11-27-19(25)23-14-5-2-4-13(12-14)22-18(24)9-8-15-16(20)6-3-7-17(15)21/h2-7,12H,8-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyLAPNQRZFWTUAGW-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
2-methoxyethyl N-[3-[3-(pyrimidin-2-ylamino)propanoylamino]phenyl]carbamate
CID 47916523
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
CID 17235638
2-methoxyethyl N-[3-[[2-(furan-3-carbonylamino)acetyl]amino]phenyl]carbamate
CID 47934073
2-methoxyethyl N-[3-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]phenyl]carbamate
CID 47741212
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946
2-methoxyethyl N-[3-[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]phenyl]carbamate
CID 95583256
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate (CID 47741134) is 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)CCc2c(F)cccc2F)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate?
The InChIKey is LAPNQRZFWTUAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-26-10-11-27-19(25)23-14-5-2-4-13(12-14)22-18(24)9-8-15-16(20)6-3-7-17(15)21/h2-7,12H,8-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate?
2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate has a molecular weight of 378.38 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[3-(2,6-difluorophenyl)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 47741134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).