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

C15H22N2O2 — CID 4035465

IUPACethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
SMILESCCCC/N=C(/NC(=O)c1ccc(C)cc1)OCC
InChIInChI=1S/C15H22N2O2/c1-4-6-11-16-15(19-5-2)17-14(18)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3,(H,16,17,18)
InChIKeyJBGOPIBBORIGBN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds5

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

ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate (PubChem CID 4035465) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
PubChem CID4035465
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
SMILESCCCC/N=C(/NC(=O)c1ccc(C)cc1)OCC
InChIInChI=1S/C15H22N2O2/c1-4-6-11-16-15(19-5-2)17-14(18)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3,(H,16,17,18)
InChIKeyJBGOPIBBORIGBN-UHFFFAOYSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N'-[3-(dimethylamino)propyl]-N-(4-methylbenzoyl)carbamimidate
CID 7256758
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 7263415
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
ethyl N-(4-methylbenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidate
CID 7306857
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
3-butylimino-1-(4-methylphenyl)butan-1-one
CID 88589780
ethyl N-(4-fluorobenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7412384
ethyl 2-[(4-methylbenzoyl)carbamothioylamino]hexanoate
CID 3693234
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327

Frequently Asked Questions

What is the IUPAC name of ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate?
The IUPAC name of ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate (CID 4035465) is ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate.
What is the SMILES notation for ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate?
The canonical SMILES for ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate is CCCC/N=C(/NC(=O)c1ccc(C)cc1)OCC.
What is the InChIKey of ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate?
The InChIKey is JBGOPIBBORIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-11-16-15(19-5-2)17-14(18)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate?
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate has a molecular weight of 262.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate is sourced from PubChem (CID 4035465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).