[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium

C20H25Cl2N2O2+ — CID 8768923

IUPAC[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
SMILESCOc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24Cl2N2O2/c1-12-5-8-19(26-4)17(9-12)13(2)23-11-20(25)24-14(3)16-7-6-15(21)10-18(16)22/h5-10,13-14,23H,11H2,1-4H3,(H,24,25)/p+1/t13-,14-/m0/s1
InChIKeyDYZPLBMPKARNOU-KBPBESRZSA-O
MW396.34 g/mol
LogP3.81
Rot. Bonds7

About [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium

[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium (PubChem CID 8768923) has the molecular formula C20H25Cl2N2O2+ and a molecular weight of 396.34 g/mol. Its IUPAC name is [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
PubChem CID8768923
Molecular FormulaC20H25Cl2N2O2+
Molecular Weight396.34 g/mol
Exact Mass395.13
IUPAC Name[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
SMILESCOc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24Cl2N2O2/c1-12-5-8-19(26-4)17(9-12)13(2)23-11-20(25)24-14(3)16-7-6-15(21)10-18(16)22/h5-10,13-14,23H,11H2,1-4H3,(H,24,25)/p+1/t13-,14-/m0/s1
InChIKeyDYZPLBMPKARNOU-KBPBESRZSA-O
XLogP3.81
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium with MolForge

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Related Compounds

4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9262595
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-[1-(2,4-dichlorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55455394
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9254039
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
The IUPAC name of [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium (CID 8768923) is [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium.
What is the SMILES notation for [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
The canonical SMILES for [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium is COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
The InChIKey is DYZPLBMPKARNOU-KBPBESRZSA-O. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-12-5-8-19(26-4)17(9-12)13(2)23-11-20(25)24-14(3)16-7-6-15(21)10-18(16)22/h5-10,13-14,23H,11H2,1-4H3,(H,24,25)/p+1/t13-,14-/m0/s1.
What are the key properties of [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium?
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium has a molecular weight of 396.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium is sourced from PubChem (CID 8768923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).