[2-(2-formylbenzoyl)phenyl] N-propylcarbamate

C18H17NO4 — CID 123406138

IUPAC[2-(2-formylbenzoyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccccc1C(=O)c1ccccc1C=O
InChIInChI=1S/C18H17NO4/c1-2-11-19-18(22)23-16-10-6-5-9-15(16)17(21)14-8-4-3-7-13(14)12-20/h3-10,12H,2,11H2,1H3,(H,19,22)
InChIKeyDMDRHVJEZNITTE-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.23
Rot. Bonds6

About [2-(2-formylbenzoyl)phenyl] N-propylcarbamate

[2-(2-formylbenzoyl)phenyl] N-propylcarbamate (PubChem CID 123406138) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(2-formylbenzoyl)phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[2-(2-formylbenzoyl)phenyl] N-propylcarbamate
PubChem CID123406138
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[2-(2-formylbenzoyl)phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccccc1C(=O)c1ccccc1C=O
InChIInChI=1S/C18H17NO4/c1-2-11-19-18(22)23-16-10-6-5-9-15(16)17(21)14-8-4-3-7-13(14)12-20/h3-10,12H,2,11H2,1H3,(H,19,22)
InChIKeyDMDRHVJEZNITTE-UHFFFAOYSA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
CID 89287038
[2-(2-formylbenzoyl)phenyl] octanoate
CID 123151010
[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
CID 123767326
(2-ethylphenyl) N-propylcarbamate
CID 127559161
[2-(2-formylbenzoyl)phenyl] cyclopropanecarboxylate
CID 123439268
(3-acetyl-2-bromophenyl) N-propylcarbamate
CID 175190417
[2-(2-butanoyloxybenzoyl)phenyl] butanoate
CID 139701045
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
(2-formylphenyl) 2-propoxybenzoate
CID 23011742
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
2-[(2-ethoxycarbonylphenoxy)carbonylamino]ethanesulfonic acid
CID 59487849
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386

Frequently Asked Questions

What is the IUPAC name of [2-(2-formylbenzoyl)phenyl] N-propylcarbamate?
The IUPAC name of [2-(2-formylbenzoyl)phenyl] N-propylcarbamate (CID 123406138) is [2-(2-formylbenzoyl)phenyl] N-propylcarbamate.
What is the SMILES notation for [2-(2-formylbenzoyl)phenyl] N-propylcarbamate?
The canonical SMILES for [2-(2-formylbenzoyl)phenyl] N-propylcarbamate is CCCNC(=O)Oc1ccccc1C(=O)c1ccccc1C=O.
What is the InChIKey of [2-(2-formylbenzoyl)phenyl] N-propylcarbamate?
The InChIKey is DMDRHVJEZNITTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-11-19-18(22)23-16-10-6-5-9-15(16)17(21)14-8-4-3-7-13(14)12-20/h3-10,12H,2,11H2,1H3,(H,19,22).
What are the key properties of [2-(2-formylbenzoyl)phenyl] N-propylcarbamate?
[2-(2-formylbenzoyl)phenyl] N-propylcarbamate has a molecular weight of 311.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-formylbenzoyl)phenyl] N-propylcarbamate is sourced from PubChem (CID 123406138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).