[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

C16H21NO4 — CID 24662026

IUPAC[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCOc1cccc(NC(=O)C(C)OC(=O)C2CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-11(21-16(19)12-6-3-4-7-12)15(18)17-13-8-5-9-14(10-13)20-2/h5,8-12H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyVIQAMUPZMWQGFV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.76
Rot. Bonds5

About [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 24662026) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID24662026
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCOc1cccc(NC(=O)C(C)OC(=O)C2CCCC2)c1
InChIInChI=1S/C16H21NO4/c1-11(21-16(19)12-6-3-4-7-12)15(18)17-13-8-5-9-14(10-13)20-2/h5,8-12H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyVIQAMUPZMWQGFV-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate
CID 8019081
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 26747601
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2363250
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 42900728
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717600
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717348
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717556

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 24662026) is [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is COc1cccc(NC(=O)C(C)OC(=O)C2CCCC2)c1.
What is the InChIKey of [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is VIQAMUPZMWQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(21-16(19)12-6-3-4-7-12)15(18)17-13-8-5-9-14(10-13)20-2/h5,8-12H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 24662026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).