propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate

C19H23NO4 — CID 122577799

IUPACpropan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate
SMILESCOc1cc(/C(=N/c2ccccc2)OC(C)C)cc(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-13(2)24-19(20-15-9-7-6-8-10-15)14-11-16(21-3)18(23-5)17(12-14)22-4/h6-13H,1-5H3/b20-19-
InChIKeyUSXOXWCHNJFJOE-VXPUYCOJSA-N
MW329.40 g/mol
LogP4.22
Rot. Bonds6

About propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate

propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate (PubChem CID 122577799) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate.

Molecular Properties

Compound Namepropan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate
PubChem CID122577799
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namepropan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate
SMILESCOc1cc(/C(=N/c2ccccc2)OC(C)C)cc(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-13(2)24-19(20-15-9-7-6-8-10-15)14-11-16(21-3)18(23-5)17(12-14)22-4/h6-13H,1-5H3/b20-19-
InChIKeyUSXOXWCHNJFJOE-VXPUYCOJSA-N
XLogP4.22
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate
CID 122577767
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 174357857
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013279
hydroxymethyl 3,4,5-trimethoxy-N-methylbenzenecarboximidate
CID 155455592
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 5120394

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate?
The IUPAC name of propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate (CID 122577799) is propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate.
What is the SMILES notation for propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate?
The canonical SMILES for propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate is COc1cc(/C(=N/c2ccccc2)OC(C)C)cc(OC)c1OC.
What is the InChIKey of propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate?
The InChIKey is USXOXWCHNJFJOE-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(2)24-19(20-15-9-7-6-8-10-15)14-11-16(21-3)18(23-5)17(12-14)22-4/h6-13H,1-5H3/b20-19-.
What are the key properties of propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate?
propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate has a molecular weight of 329.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate is sourced from PubChem (CID 122577799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).