2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C20H24BrN3O3 — CID 40942275

IUPAC2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H24BrN3O3/c1-14(15-4-6-16(21)7-5-15)22-19(25)12-24(2)13-20(26)23-17-8-10-18(27-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyDSMAAQWMQNXNRC-CQSZACIVSA-N
MW434.33 g/mol
LogP3.21
Rot. Bonds8

About 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 40942275) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID40942275
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC Name2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H24BrN3O3/c1-14(15-4-6-16(21)7-5-15)22-19(25)12-24(2)13-20(26)23-17-8-10-18(27-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyDSMAAQWMQNXNRC-CQSZACIVSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
methyl (2S)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8817915
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8816429
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 40942275) is 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DSMAAQWMQNXNRC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-14(15-4-6-16(21)7-5-15)22-19(25)12-24(2)13-20(26)23-17-8-10-18(27-3)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 434.33 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 40942275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).