[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

C24H27NO4 — CID 4799567

IUPAC[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
SMILESCC(OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCC1CCCCC1
InChIInChI=1S/C24H27NO4/c1-16(23(26)25-15-17-9-3-2-4-10-17)28-24(27)22-18-11-5-7-13-20(18)29-21-14-8-6-12-19(21)22/h5-8,11-14,16-17,22H,2-4,9-10,15H2,1H3,(H,25,26)
InChIKeyMAUUOKZTLMAGAL-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.55
Rot. Bonds5

About [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate (PubChem CID 4799567) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
PubChem CID4799567
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
SMILESCC(OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCC1CCCCC1
InChIInChI=1S/C24H27NO4/c1-16(23(26)25-15-17-9-3-2-4-10-17)28-24(27)22-18-11-5-7-13-20(18)29-21-14-8-6-12-19(21)22/h5-8,11-14,16-17,22H,2-4,9-10,15H2,1H3,(H,25,26)
InChIKeyMAUUOKZTLMAGAL-UHFFFAOYSA-N
XLogP4.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
CID 8013919
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
CID 46794502
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
CID 2573686
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400920
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate
CID 3879037
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7802873
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836198
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226279
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
The IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate (CID 4799567) is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate is CC(OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCC1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
The InChIKey is MAUUOKZTLMAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16(23(26)25-15-17-9-3-2-4-10-17)28-24(27)22-18-11-5-7-13-20(18)29-21-14-8-6-12-19(21)22/h5-8,11-14,16-17,22H,2-4,9-10,15H2,1H3,(H,25,26).
What are the key properties of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate?
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate has a molecular weight of 393.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 4799567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).