[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium

C19H24ClN2O2+ — CID 8599438

IUPAC[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCOc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-14(16-7-5-8-17(20)12-16)22-13-19(23)21-11-10-15-6-3-4-9-18(15)24-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1
InChIKeyAGBJVJRNSKZCLK-AWEZNQCLSA-O
MW347.87 g/mol
LogP2.33
Rot. Bonds8

About [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium

[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8599438) has the molecular formula C19H24ClN2O2+ and a molecular weight of 347.87 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID8599438
Molecular FormulaC19H24ClN2O2+
Molecular Weight347.87 g/mol
Exact Mass347.15
IUPAC Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCOc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-14(16-7-5-8-17(20)12-16)22-13-19(23)21-11-10-15-6-3-4-9-18(15)24-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1
InChIKeyAGBJVJRNSKZCLK-AWEZNQCLSA-O
XLogP2.33
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599384
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium (CID 8599438) is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium is COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is AGBJVJRNSKZCLK-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(16-7-5-8-17(20)12-16)22-13-19(23)21-11-10-15-6-3-4-9-18(15)24-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 347.87 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8599438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).