ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate

C20H24N2O2 — CID 7414333

IUPACethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
SMILESCCO/C(=N\CCCc1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-3-24-20(21-15-9-13-17-11-5-4-6-12-17)22-19(23)18-14-8-7-10-16(18)2/h4-8,10-12,14H,3,9,13,15H2,1-2H3,(H,21,22,23)
InChIKeyDMJVDNFCMHUSJU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.75
Rot. Bonds6

About ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate

ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate (PubChem CID 7414333) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate.

Molecular Properties

Compound Nameethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
PubChem CID7414333
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nameethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
SMILESCCO/C(=N\CCCc1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-3-24-20(21-15-9-13-17-11-5-4-6-12-17)22-19(23)18-14-8-7-10-16(18)2/h4-8,10-12,14H,3,9,13,15H2,1-2H3,(H,21,22,23)
InChIKeyDMJVDNFCMHUSJU-UHFFFAOYSA-N
XLogP3.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.75
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

2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide
CID 22149221
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
2-methylpropyl N'-[3-(dimethylamino)propyl]-N-(2-methylbenzoyl)carbamimidate
CID 7218787
2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
CID 7264739
2-[[methoxy-[(2-methylbenzoyl)amino]methylidene]amino]ethyl-dimethylazanium
CID 7283332
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
CID 4235851
2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
CID 7261343
ethyl (E)-3-[(2-methylbenzoyl)amino]but-2-enoate
CID 6119204
methyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7482491
butylbenzene;ethyl carbamate
CID 175305774

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate?
The IUPAC name of ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate (CID 7414333) is ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate.
What is the SMILES notation for ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate?
The canonical SMILES for ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate is CCO/C(=N\CCCc1ccccc1)NC(=O)c1ccccc1C.
What is the InChIKey of ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate?
The InChIKey is DMJVDNFCMHUSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-24-20(21-15-9-13-17-11-5-4-6-12-17)22-19(23)18-14-8-7-10-16(18)2/h4-8,10-12,14H,3,9,13,15H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate?
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate has a molecular weight of 324.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate is sourced from PubChem (CID 7414333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).