ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate

C19H21BrN2O4 — CID 86932307

IUPACethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O4/c1-3-25-19(24)21-15-8-6-9-16(11-15)26-13-18(23)22(2)12-14-7-4-5-10-17(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeySPDSYRGUHWXKHQ-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.05
Rot. Bonds7

About ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate

ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate (PubChem CID 86932307) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate
PubChem CID86932307
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Nameethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O4/c1-3-25-19(24)21-15-8-6-9-16(11-15)26-13-18(23)22(2)12-14-7-4-5-10-17(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeySPDSYRGUHWXKHQ-UHFFFAOYSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
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ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
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ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
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CID 39269822
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
2-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
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CID 112790388

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate (CID 86932307) is ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)N(C)Cc2ccccc2Br)c1.
What is the InChIKey of ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate?
The InChIKey is SPDSYRGUHWXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-3-25-19(24)21-15-8-6-9-16(11-15)26-13-18(23)22(2)12-14-7-4-5-10-17(14)20/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate?
ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate has a molecular weight of 421.29 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 86932307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).