ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate

C15H20N2O2 — CID 7263415

IUPACethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
SMILESCCO/C(=N\CC1CC1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-19-15(16-10-12-6-7-12)17-14(18)13-8-4-11(2)5-9-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyZBKSFMHRLRUQOA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.53
Rot. Bonds4

About ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate

ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate (PubChem CID 7263415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
PubChem CID7263415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
SMILESCCO/C(=N\CC1CC1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-19-15(16-10-12-6-7-12)17-14(18)13-8-4-11(2)5-9-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyZBKSFMHRLRUQOA-UHFFFAOYSA-N
XLogP2.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.53
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

2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
CID 7283313
ethyl N'-[3-(dimethylamino)propyl]-N-(4-methylbenzoyl)carbamimidate
CID 7256758
ethyl N-(4-methylbenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
CID 7306857
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238
ethyl N-(4-fluorobenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7412384
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7362580
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997

Frequently Asked Questions

What is the IUPAC name of ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
The IUPAC name of ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate (CID 7263415) is ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate.
What is the SMILES notation for ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
The canonical SMILES for ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate is CCO/C(=N\CC1CC1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
The InChIKey is ZBKSFMHRLRUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-19-15(16-10-12-6-7-12)17-14(18)13-8-4-11(2)5-9-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate has a molecular weight of 260.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate is sourced from PubChem (CID 7263415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).