N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C20H23BrN2O5 — CID 46433680

IUPACN-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(C)NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1Br
InChIInChI=1S/C20H23BrN2O5/c1-12(13-5-7-16(26-2)15(21)9-13)23-19(24)11-22-20(25)14-6-8-17(27-3)18(10-14)28-4/h5-10,12H,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGHZOWTILJGPXTE-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.08
Rot. Bonds8

About N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 46433680) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID46433680
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC NameN-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(C)NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1Br
InChIInChI=1S/C20H23BrN2O5/c1-12(13-5-7-16(26-2)15(21)9-13)23-19(24)11-22-20(25)14-6-8-17(27-3)18(10-14)28-4/h5-10,12H,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGHZOWTILJGPXTE-UHFFFAOYSA-N
XLogP3.08
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 8963066
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51163512
N-[2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 8963120
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 46433680) is N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(C)NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1Br.
What is the InChIKey of N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is GHZOWTILJGPXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-12(13-5-7-16(26-2)15(21)9-13)23-19(24)11-22-20(25)14-6-8-17(27-3)18(10-14)28-4/h5-10,12H,11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 451.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 46433680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).