methyl 4-(4-propan-2-ylphenyl)butanimidate

C14H21NO — CID 95443204

IUPACmethyl 4-(4-propan-2-ylphenyl)butanimidate
SMILES[H]/N=C(/CCCc1ccc(C(C)C)cc1)OC
InChIInChI=1S/C14H21NO/c1-11(2)13-9-7-12(8-10-13)5-4-6-14(15)16-3/h7-11,15H,4-6H2,1-3H3/b15-14-
InChIKeyIQEYVSKLCAEBCI-PFONDFGASA-N
MW219.33 g/mol
LogP3.76
Rot. Bonds5

About methyl 4-(4-propan-2-ylphenyl)butanimidate

methyl 4-(4-propan-2-ylphenyl)butanimidate (PubChem CID 95443204) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is methyl 4-(4-propan-2-ylphenyl)butanimidate.

Molecular Properties

Compound Namemethyl 4-(4-propan-2-ylphenyl)butanimidate
PubChem CID95443204
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Namemethyl 4-(4-propan-2-ylphenyl)butanimidate
SMILES[H]/N=C(/CCCc1ccc(C(C)C)cc1)OC
InChIInChI=1S/C14H21NO/c1-11(2)13-9-7-12(8-10-13)5-4-6-14(15)16-3/h7-11,15H,4-6H2,1-3H3/b15-14-
InChIKeyIQEYVSKLCAEBCI-PFONDFGASA-N
XLogP3.76
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 4-(1-methylpyrrol-3-yl)butanimidate
CID 95435900
2-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 171318112
methyl 3-(4-ethoxyphenyl)propanimidate
CID 95439607
N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
CID 116847673
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
1-[3-(methoxymethoxy)propyl]-4-propan-2-ylbenzene
CID 15271907
ethane;3-(4-propan-2-ylphenyl)propane-1-thiol
CID 144873954
carboxy 4-(4-fluorophenyl)butanimidate
CID 139304404
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-propan-2-ylphenyl)butanimidate?
The IUPAC name of methyl 4-(4-propan-2-ylphenyl)butanimidate (CID 95443204) is methyl 4-(4-propan-2-ylphenyl)butanimidate.
What is the SMILES notation for methyl 4-(4-propan-2-ylphenyl)butanimidate?
The canonical SMILES for methyl 4-(4-propan-2-ylphenyl)butanimidate is [H]/N=C(/CCCc1ccc(C(C)C)cc1)OC.
What is the InChIKey of methyl 4-(4-propan-2-ylphenyl)butanimidate?
The InChIKey is IQEYVSKLCAEBCI-PFONDFGASA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-9-7-12(8-10-13)5-4-6-14(15)16-3/h7-11,15H,4-6H2,1-3H3/b15-14-.
What are the key properties of methyl 4-(4-propan-2-ylphenyl)butanimidate?
methyl 4-(4-propan-2-ylphenyl)butanimidate has a molecular weight of 219.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-propan-2-ylphenyl)butanimidate is sourced from PubChem (CID 95443204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).