N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide

C20H24BrN3O3 — CID 112798835

IUPACN-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H24BrN3O3/c1-4-24(13-19(25)23-17-10-5-6-11-18(17)27-3)14(2)20(26)22-16-9-7-8-15(21)12-16/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZTLZALAUNVLQLV-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.75
Rot. Bonds8

About N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide

N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide (PubChem CID 112798835) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
PubChem CID112798835
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC NameN-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H24BrN3O3/c1-4-24(13-19(25)23-17-10-5-6-11-18(17)27-3)14(2)20(26)22-16-9-7-8-15(21)12-16/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZTLZALAUNVLQLV-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 112769408
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
N-(3-bromophenyl)-2-(2-methoxyphenoxy)propanamide
CID 17252166
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
N-(2,4-dichlorophenyl)-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769404
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 24506793

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide (CID 112798835) is N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide is CCN(CC(=O)Nc1ccccc1OC)C(C)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is ZTLZALAUNVLQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-4-24(13-19(25)23-17-10-5-6-11-18(17)27-3)14(2)20(26)22-16-9-7-8-15(21)12-16/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide?
N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 434.33 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 112798835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).