propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate

C20H24N2O2 — CID 4557341

IUPACpropan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate
SMILESCc1ccccc1C(=O)N/C(=N\C(C)c1ccccc1)OC(C)C
InChIInChI=1S/C20H24N2O2/c1-14(2)24-20(21-16(4)17-11-6-5-7-12-17)22-19(23)18-13-9-8-10-15(18)3/h5-14,16H,1-4H3,(H,21,22,23)
InChIKeyGBLGWRVKMIMSES-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.27
Rot. Bonds4

About propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate

propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate (PubChem CID 4557341) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate.

Molecular Properties

Compound Namepropan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate
PubChem CID4557341
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namepropan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate
SMILESCc1ccccc1C(=O)N/C(=N\C(C)c1ccccc1)OC(C)C
InChIInChI=1S/C20H24N2O2/c1-14(2)24-20(21-16(4)17-11-6-5-7-12-17)22-19(23)18-13-9-8-10-15(18)3/h5-14,16H,1-4H3,(H,21,22,23)
InChIKeyGBLGWRVKMIMSES-UHFFFAOYSA-N
XLogP4.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.27
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'}

Analyze propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7482491
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
CID 7283332
propan-2-yl N-(2-chlorobenzoyl)-N'-[2-(dimethylamino)ethyl]carbamimidate
CID 5165368
2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate?
The IUPAC name of propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate (CID 4557341) is propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate.
What is the SMILES notation for propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate?
The canonical SMILES for propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate is Cc1ccccc1C(=O)N/C(=N\C(C)c1ccccc1)OC(C)C.
What is the InChIKey of propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate?
The InChIKey is GBLGWRVKMIMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)24-20(21-16(4)17-11-6-5-7-12-17)22-19(23)18-13-9-8-10-15(18)3/h5-14,16H,1-4H3,(H,21,22,23).
What are the key properties of propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate?
propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate has a molecular weight of 324.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-methylbenzoyl)-N'-(1-phenylethyl)carbamimidate is sourced from PubChem (CID 4557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).