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

C19H22N2O2 — CID 7338518

IUPACethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
SMILESCCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-4-23-19(20-15(3)16-11-6-5-7-12-16)21-18(22)17-13-9-8-10-14(17)2/h5-13,15H,4H2,1-3H3,(H,20,21,22)/t15-/m0/s1
InChIKeyYBUJIROEINGSRF-HNNXBMFYSA-N
MW310.40 g/mol
LogP3.88
Rot. Bonds4

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

ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate (PubChem CID 7338518) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate.

Molecular Properties

Compound Nameethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
PubChem CID7338518
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nameethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
SMILESCCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-4-23-19(20-15(3)16-11-6-5-7-12-16)21-18(22)17-13-9-8-10-14(17)2/h5-13,15H,4H2,1-3H3,(H,20,21,22)/t15-/m0/s1
InChIKeyYBUJIROEINGSRF-HNNXBMFYSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.88
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

methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7482491
propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate
CID 4557341
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
ethyl N-(1,3-benzodioxole-5-carbonyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7361437
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851
2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
ethyl (E)-3-[(2-methylbenzoyl)amino]but-2-enoate
CID 6119204
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
CID 7283332

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The IUPAC name of ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate (CID 7338518) is ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate.
What is the SMILES notation for ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The canonical SMILES for ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate is CCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccccc1C.
What is the InChIKey of ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The InChIKey is YBUJIROEINGSRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-23-19(20-15(3)16-11-6-5-7-12-16)21-18(22)17-13-9-8-10-14(17)2/h5-13,15H,4H2,1-3H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate has a molecular weight of 310.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate is sourced from PubChem (CID 7338518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).