methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate

C18H20N2O2 — CID 7482491

IUPACmethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
SMILESCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O2/c1-13-9-7-8-12-16(13)17(21)20-18(22-3)19-14(2)15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H,19,20,21)/t14-/m0/s1
InChIKeyDGDYRWJZBZVZCG-AWEZNQCLSA-N
MW296.37 g/mol
LogP3.49
Rot. Bonds3

About methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate

methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate (PubChem CID 7482491) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate.

Molecular Properties

Compound Namemethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
PubChem CID7482491
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namemethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
SMILESCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O2/c1-13-9-7-8-12-16(13)17(21)20-18(22-3)19-14(2)15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H,19,20,21)/t14-/m0/s1
InChIKeyDGDYRWJZBZVZCG-AWEZNQCLSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate
CID 4557341
2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
CID 7283332
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The IUPAC name of methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate (CID 7482491) is methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate.
What is the SMILES notation for methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The canonical SMILES for methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate is CO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccccc1C.
What is the InChIKey of methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The InChIKey is DGDYRWJZBZVZCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-7-8-12-16(13)17(21)20-18(22-3)19-14(2)15-10-5-4-6-11-15/h4-12,14H,1-3H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate has a molecular weight of 296.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate is sourced from PubChem (CID 7482491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).