ethyl N-butylbenzenecarboximidate

C13H19NO — CID 19093178

IUPACethyl N-butylbenzenecarboximidate
SMILESCCCC/N=C(\OCC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-5-11-14-13(15-4-2)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3/b14-13-
InChIKeyKXQBMYQYDFRXDD-YPKPFQOOSA-N
MW205.30 g/mol
LogP3.27
Rot. Bonds5

About ethyl N-butylbenzenecarboximidate

ethyl N-butylbenzenecarboximidate (PubChem CID 19093178) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethyl N-butylbenzenecarboximidate.

Molecular Properties

Compound Nameethyl N-butylbenzenecarboximidate
PubChem CID19093178
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethyl N-butylbenzenecarboximidate
SMILESCCCC/N=C(\OCC)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-5-11-14-13(15-4-2)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3/b14-13-
InChIKeyKXQBMYQYDFRXDD-YPKPFQOOSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
ethyl N-ethynylbenzenecarboximidate
CID 134869997
(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
CID 11000397
N-hexadecyl-1-phenylethanimine
CID 102417154
ethyl N-(benzenesulfonyl)benzenecarboximidate
CID 21203329
ethyl (Z)-N-(dimethylcarbamothioyl)benzenecarboximidate
CID 15783640
ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenoxy]phenyl]benzenecarboximidate
CID 122577792
N,N'-dibutyl-N-hydroxybenzenecarboximidamide
CID 87477851
ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate
CID 23330240
(Z)-3-butylimino-1-(4-methoxyphenyl)-3-phenylprop-1-en-1-amine
CID 10968854
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374

Frequently Asked Questions

What is the IUPAC name of ethyl N-butylbenzenecarboximidate?
The IUPAC name of ethyl N-butylbenzenecarboximidate (CID 19093178) is ethyl N-butylbenzenecarboximidate.
What is the SMILES notation for ethyl N-butylbenzenecarboximidate?
The canonical SMILES for ethyl N-butylbenzenecarboximidate is CCCC/N=C(\OCC)c1ccccc1.
What is the InChIKey of ethyl N-butylbenzenecarboximidate?
The InChIKey is KXQBMYQYDFRXDD-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-11-14-13(15-4-2)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3/b14-13-.
What are the key properties of ethyl N-butylbenzenecarboximidate?
ethyl N-butylbenzenecarboximidate has a molecular weight of 205.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butylbenzenecarboximidate is sourced from PubChem (CID 19093178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).