[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium

C18H22N3O2+ — CID 8516766

IUPAC[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13-8-6-7-11-15(13)12-21(2)16(17(22)20-18(19)23)14-9-4-3-5-10-14/h3-11,16H,12H2,1-2H3,(H3,19,20,22,23)/p+1/t16-/m1/s1
InChIKeyXMKLMYMQRBYTBB-MRXNPFEDSA-O
MW312.39 g/mol
LogP0.95
Rot. Bonds5

About [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8516766) has the molecular formula C18H22N3O2+ and a molecular weight of 312.39 g/mol. Its IUPAC name is [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8516766
Molecular FormulaC18H22N3O2+
Molecular Weight312.39 g/mol
Exact Mass312.17
IUPAC Name[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-13-8-6-7-11-15(13)12-21(2)16(17(22)20-18(19)23)14-9-4-3-5-10-14/h3-11,16H,12H2,1-2H3,(H3,19,20,22,23)/p+1/t16-/m1/s1
InChIKeyXMKLMYMQRBYTBB-MRXNPFEDSA-O
XLogP0.95
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8790839
(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8971597
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135659961
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
CID 8810227
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
CID 9268106
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 8516766) is [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)[C@@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is XMKLMYMQRBYTBB-MRXNPFEDSA-O. The full InChI is InChI=1S/C18H21N3O2/c1-13-8-6-7-11-15(13)12-21(2)16(17(22)20-18(19)23)14-9-4-3-5-10-14/h3-11,16H,12H2,1-2H3,(H3,19,20,22,23)/p+1/t16-/m1/s1.
What are the key properties of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 312.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8516766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).