2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate

C17H23NO4 — CID 52709382

IUPAC2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCCCCOCCOC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-3-10-21-11-12-22-17(20)14-6-8-15(9-7-14)18-16(19)13-4-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyXMQQLXZHOGJXQS-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.01
Rot. Bonds9

About 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate

2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 52709382) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
PubChem CID52709382
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCCCCOCCOC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-3-10-21-11-12-22-17(20)14-6-8-15(9-7-14)18-16(19)13-4-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyXMQQLXZHOGJXQS-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259
2-ethylsulfanylethyl 4-(cyclopropanecarbonylamino)benzoate
CID 47362257
butyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 31776506
butyl 4-[[1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate
CID 16909723
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
(1S,6S)-6-[(4-butoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 7111802
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
2-(2-fluorophenoxy)ethyl 4-(cyclopropanecarbonylamino)benzoate
CID 42986213
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
2-butoxyethyl 4-nitrobenzoate
CID 3018330

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate (CID 52709382) is 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate is CCCCOCCOC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is XMQQLXZHOGJXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-3-10-21-11-12-22-17(20)14-6-8-15(9-7-14)18-16(19)13-4-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate?
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 305.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 52709382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).