ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate

C18H21NO — CID 23330240

IUPACethyl N-(1-phenylpropan-2-yl)benzenecarboximidate
SMILESCCO/C(=N\C(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-20-18(17-12-8-5-9-13-17)19-15(2)14-16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3/b19-18-
InChIKeyFVQPUTNVNGZURN-HNENSFHCSA-N
MW267.37 g/mol
LogP4.10
Rot. Bonds5

About ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate

ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate (PubChem CID 23330240) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate.

Molecular Properties

Compound Nameethyl N-(1-phenylpropan-2-yl)benzenecarboximidate
PubChem CID23330240
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Nameethyl N-(1-phenylpropan-2-yl)benzenecarboximidate
SMILESCCO/C(=N\C(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-20-18(17-12-8-5-9-13-17)19-15(2)14-16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3/b19-18-
InChIKeyFVQPUTNVNGZURN-HNENSFHCSA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
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

ethyl N-ethynylbenzenecarboximidate
CID 134869997
ethyl N-butylbenzenecarboximidate
CID 19093178
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
CID 63012485
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl (2R,3R)-2-benzyl-3,4-dimethylpentanoate
CID 11459321
ethyl 3-methyl-2-oxo-4-phenylbutanoate
CID 18370268
ethyl N-(benzenesulfonyl)benzenecarboximidate
CID 21203329
diethyl 2-(1,2-diphenylethyl)propanedioate
CID 14047005
ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenoxy]phenyl]benzenecarboximidate
CID 122577792
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate?
The IUPAC name of ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate (CID 23330240) is ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate.
What is the SMILES notation for ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate?
The canonical SMILES for ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate is CCO/C(=N\C(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate?
The InChIKey is FVQPUTNVNGZURN-HNENSFHCSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-20-18(17-12-8-5-9-13-17)19-15(2)14-16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3/b19-18-.
What are the key properties of ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate?
ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate has a molecular weight of 267.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate is sourced from PubChem (CID 23330240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).