2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate

C18H26N2O3 — CID 4601585

IUPAC2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate
SMILESCc1ccccc1C(=O)N/C(=N/CC1CCCO1)OCC(C)C
InChIInChI=1S/C18H26N2O3/c1-13(2)12-23-18(19-11-15-8-6-10-22-15)20-17(21)16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,19,20,21)
InChIKeyNRNJTHLTZXNIOJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.93
Rot. Bonds5

About 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate

2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate (PubChem CID 4601585) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate
PubChem CID4601585
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate
SMILESCc1ccccc1C(=O)N/C(=N/CC1CCCO1)OCC(C)C
InChIInChI=1S/C18H26N2O3/c1-13(2)12-23-18(19-11-15-8-6-10-22-15)20-17(21)16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,19,20,21)
InChIKeyNRNJTHLTZXNIOJ-UHFFFAOYSA-N
XLogP2.93
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)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

2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 93144997
methyl N-(3,4-dichlorobenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7261503
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7362580
2-methyl-N-[(1S)-2,2,2-trichloro-1-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1099742
ethyl 4-[[N-benzoyl-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]amino]benzoate
CID 94089740
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
4-methyl-N-[N-(4-methylphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089774
2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574788
N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 78798898

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate?
The IUPAC name of 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate (CID 4601585) is 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate.
What is the SMILES notation for 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate?
The canonical SMILES for 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate is Cc1ccccc1C(=O)N/C(=N/CC1CCCO1)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate?
The InChIKey is NRNJTHLTZXNIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)12-23-18(19-11-15-8-6-10-22-15)20-17(21)16-9-5-4-7-14(16)3/h4-5,7,9,13,15H,6,8,10-12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate?
2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate has a molecular weight of 318.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methylbenzoyl)-N'-(oxolan-2-ylmethyl)carbamimidate is sourced from PubChem (CID 4601585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).