2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate

C17H24N2O3 — CID 5145915

IUPAC2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
SMILESCCOCCO/C(=N\CC1CC1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-3-21-10-11-22-17(18-12-14-6-7-14)19-16(20)15-8-4-13(2)5-9-15/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,18,19,20)
InChIKeyJEWGNWGVNCGMSS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.54
Rot. Bonds7

About 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate

2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate (PubChem CID 5145915) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
PubChem CID5145915
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
SMILESCCOCCO/C(=N\CC1CC1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N2O3/c1-3-21-10-11-22-17(18-12-14-6-7-14)19-16(20)15-8-4-13(2)5-9-15/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,18,19,20)
InChIKeyJEWGNWGVNCGMSS-UHFFFAOYSA-N
XLogP2.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 7263415
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
CID 7283313
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
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 42665456
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
ethyl N'-[3-(dimethylamino)propyl]-N-(4-methylbenzoyl)carbamimidate
CID 7256758

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate (CID 5145915) is 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate is CCOCCO/C(=N\CC1CC1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
The InChIKey is JEWGNWGVNCGMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-21-10-11-22-17(18-12-14-6-7-14)19-16(20)15-8-4-13(2)5-9-15/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate?
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate has a molecular weight of 304.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate is sourced from PubChem (CID 5145915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).