1-benzamidopropyl 3-ethylbenzoate

C19H21NO3 — CID 175424827

IUPAC1-benzamidopropyl 3-ethylbenzoate
SMILESCCc1cccc(C(=O)OC(CC)NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-3-14-9-8-12-16(13-14)19(22)23-17(4-2)20-18(21)15-10-6-5-7-11-15/h5-13,17H,3-4H2,1-2H3,(H,20,21)
InChIKeyULANPECAXQYCED-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.57
Rot. Bonds6

About 1-benzamidopropyl 3-ethylbenzoate

1-benzamidopropyl 3-ethylbenzoate (PubChem CID 175424827) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-benzamidopropyl 3-ethylbenzoate.

Molecular Properties

Compound Name1-benzamidopropyl 3-ethylbenzoate
PubChem CID175424827
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-benzamidopropyl 3-ethylbenzoate
SMILESCCc1cccc(C(=O)OC(CC)NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-3-14-9-8-12-16(13-14)19(22)23-17(4-2)20-18(21)15-10-6-5-7-11-15/h5-13,17H,3-4H2,1-2H3,(H,20,21)
InChIKeyULANPECAXQYCED-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzamidopropyl 3-butylbenzoate
CID 175424812
N-(1-methoxypropyl)benzamide
CID 102478557
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
chloro 3-ethylbenzoate
CID 142246460
3-ethyl-N-methylbenzamide
CID 59115297
sulfanyl 3-ethylbenzoate
CID 89208053
3-ethylbenzoic acid;propane
CID 177324794
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
butan-2-yl 3-(aminomethyl)benzoate
CID 60903488
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
1-(benzylamino)propyl 4-methylbenzoate
CID 175401955

Frequently Asked Questions

What is the IUPAC name of 1-benzamidopropyl 3-ethylbenzoate?
The IUPAC name of 1-benzamidopropyl 3-ethylbenzoate (CID 175424827) is 1-benzamidopropyl 3-ethylbenzoate.
What is the SMILES notation for 1-benzamidopropyl 3-ethylbenzoate?
The canonical SMILES for 1-benzamidopropyl 3-ethylbenzoate is CCc1cccc(C(=O)OC(CC)NC(=O)c2ccccc2)c1.
What is the InChIKey of 1-benzamidopropyl 3-ethylbenzoate?
The InChIKey is ULANPECAXQYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-14-9-8-12-16(13-14)19(22)23-17(4-2)20-18(21)15-10-6-5-7-11-15/h5-13,17H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 1-benzamidopropyl 3-ethylbenzoate?
1-benzamidopropyl 3-ethylbenzoate has a molecular weight of 311.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamidopropyl 3-ethylbenzoate is sourced from PubChem (CID 175424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).