[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

C16H21NO3 — CID 154754678

IUPAC[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCc1ccccc1NC(=O)C(C)OC(=O)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-11-7-3-6-10-14(11)17-15(18)12(2)20-16(19)13-8-4-5-9-13/h3,6-7,10,12-13H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeySGUBWBPELUWBEO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.06
Rot. Bonds4

About [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 154754678) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID154754678
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCc1ccccc1NC(=O)C(C)OC(=O)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-11-7-3-6-10-14(11)17-15(18)12(2)20-16(19)13-8-4-5-9-13/h3,6-7,10,12-13H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeySGUBWBPELUWBEO-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-oxo-1-(2-phenylanilino)propan-2-yl] cyclobutanecarboxylate
CID 42900719
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717359
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 55372469
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 98493429
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7859718
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
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[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717556
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717600
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 154754678) is [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is Cc1ccccc1NC(=O)C(C)OC(=O)C1CCCC1.
What is the InChIKey of [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is SGUBWBPELUWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-7-3-6-10-14(11)17-15(18)12(2)20-16(19)13-8-4-5-9-13/h3,6-7,10,12-13H,4-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 154754678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).