[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium

C18H22N3O3+ — CID 8788774

IUPAC[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)[C@H](C(=O)NC(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(12-13-7-6-10-15(11-13)24-2)16(17(22)20-18(19)23)14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H3,19,20,22,23)/p+1/t16-/m0/s1
InChIKeyJITVRRMFMQIILL-INIZCTEOSA-O
MW328.39 g/mol
LogP0.65
Rot. Bonds6

About [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium (PubChem CID 8788774) has the molecular formula C18H22N3O3+ and a molecular weight of 328.39 g/mol. Its IUPAC name is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
PubChem CID8788774
Molecular FormulaC18H22N3O3+
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)[C@H](C(=O)NC(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(12-13-7-6-10-15(11-13)24-2)16(17(22)20-18(19)23)14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H3,19,20,22,23)/p+1/t16-/m0/s1
InChIKeyJITVRRMFMQIILL-INIZCTEOSA-O
XLogP0.65
TPSA85.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

(3-methoxyphenyl)methyl-methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 2553869
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8514292
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789047
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium (CID 8788774) is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)[C@H](C(=O)NC(N)=O)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
The InChIKey is JITVRRMFMQIILL-INIZCTEOSA-O. The full InChI is InChI=1S/C18H21N3O3/c1-21(12-13-7-6-10-15(11-13)24-2)16(17(22)20-18(19)23)14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H3,19,20,22,23)/p+1/t16-/m0/s1.
What are the key properties of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium?
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium has a molecular weight of 328.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8788774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).