propyl 2-carbamoyl-5-ethylbenzoate

C13H17NO3 — CID 57025682

IUPACpropyl 2-carbamoyl-5-ethylbenzoate
SMILESCCCOC(=O)c1cc(CC)ccc1C(N)=O
InChIInChI=1S/C13H17NO3/c1-3-7-17-13(16)11-8-9(4-2)5-6-10(11)12(14)15/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyHDNRZBOKTDCMRR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.91
Rot. Bonds5

About propyl 2-carbamoyl-5-ethylbenzoate

propyl 2-carbamoyl-5-ethylbenzoate (PubChem CID 57025682) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is propyl 2-carbamoyl-5-ethylbenzoate.

Molecular Properties

Compound Namepropyl 2-carbamoyl-5-ethylbenzoate
PubChem CID57025682
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namepropyl 2-carbamoyl-5-ethylbenzoate
SMILESCCCOC(=O)c1cc(CC)ccc1C(N)=O
InChIInChI=1S/C13H17NO3/c1-3-7-17-13(16)11-8-9(4-2)5-6-10(11)12(14)15/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyHDNRZBOKTDCMRR-UHFFFAOYSA-N
XLogP1.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2,5-diethylbenzoate
CID 22448167
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
bis(8-methylnonyl) 4-ethylbenzene-1,2-dicarboxylate
CID 23502274
5-ethyl-2-sulfanylbenzamide
CID 145411190
2-O-ethyl 1-O-(4-methylpentyl) 4-ethylbenzene-1,2-dicarboxylate
CID 23502447
propyl 2-methoxy-4-propylbenzoate
CID 175548133
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
ethyl 2-bromo-5-ethylbenzoate
CID 91882232
2-(2-ethoxycarbonyl-5-ethylbenzoyl)oxyacetic acid
CID 101299980
2-(2-ethoxycarbonyl-4-ethylbenzoyl)oxyacetic acid
CID 101299981
propyl 2,5-difluorobenzoate
CID 43416946

Frequently Asked Questions

What is the IUPAC name of propyl 2-carbamoyl-5-ethylbenzoate?
The IUPAC name of propyl 2-carbamoyl-5-ethylbenzoate (CID 57025682) is propyl 2-carbamoyl-5-ethylbenzoate.
What is the SMILES notation for propyl 2-carbamoyl-5-ethylbenzoate?
The canonical SMILES for propyl 2-carbamoyl-5-ethylbenzoate is CCCOC(=O)c1cc(CC)ccc1C(N)=O.
What is the InChIKey of propyl 2-carbamoyl-5-ethylbenzoate?
The InChIKey is HDNRZBOKTDCMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-7-17-13(16)11-8-9(4-2)5-6-10(11)12(14)15/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15).
What are the key properties of propyl 2-carbamoyl-5-ethylbenzoate?
propyl 2-carbamoyl-5-ethylbenzoate has a molecular weight of 235.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-carbamoyl-5-ethylbenzoate is sourced from PubChem (CID 57025682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).