(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium

C17H28N3O3+ — CID 8793440

IUPAC(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
SMILESCCCNC(=O)[C@H](C)NC(=O)C[NH+](C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H27N3O3/c1-5-10-18-17(22)13(2)19-16(21)12-20(3)11-14-6-8-15(23-4)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,18,22)(H,19,21)/p+1/t13-/m0/s1
InChIKeySGWHHJCVKPJERA-ZDUSSCGKSA-O
MW322.43 g/mol
LogP-0.26
Rot. Bonds9

About (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium

(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium (PubChem CID 8793440) has the molecular formula C17H28N3O3+ and a molecular weight of 322.43 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
PubChem CID8793440
Molecular FormulaC17H28N3O3+
Molecular Weight322.43 g/mol
Exact Mass322.21
IUPAC Name(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
SMILESCCCNC(=O)[C@H](C)NC(=O)C[NH+](C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H27N3O3/c1-5-10-18-17(22)13(2)19-16(21)12-20(3)11-14-6-8-15(23-4)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,18,22)(H,19,21)/p+1/t13-/m0/s1
InChIKeySGWHHJCVKPJERA-ZDUSSCGKSA-O
XLogP-0.26
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595346
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
[2-[3-(tert-butylazaniumyl)propylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793384
2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide
CID 45354959
[2-(butylcarbamoylamino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 8925434
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 39819173
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
(5-chloro-2-methoxyphenyl)methyl-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 9137366
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium (CID 8793440) is (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium is CCCNC(=O)[C@H](C)NC(=O)C[NH+](C)Cc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium?
The InChIKey is SGWHHJCVKPJERA-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H27N3O3/c1-5-10-18-17(22)13(2)19-16(21)12-20(3)11-14-6-8-15(23-4)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,18,22)(H,19,21)/p+1/t13-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium?
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium has a molecular weight of 322.43 g/mol, XLogP of -0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium is sourced from PubChem (CID 8793440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).