N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide

C24H23NO4 — CID 9194243

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C24H23NO4/c1-15(19-14-16(27-2)12-13-20(19)28-3)25-24(26)23-17-8-4-6-10-21(17)29-22-11-7-5-9-18(22)23/h4-15,23H,1-3H3,(H,25,26)/t15-/m0/s1
InChIKeyLIRTWRURGULOTF-HNNXBMFYSA-N
MW389.45 g/mol
LogP4.82
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 9194243) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID9194243
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C24H23NO4/c1-15(19-14-16(27-2)12-13-20(19)28-3)25-24(26)23-17-8-4-6-10-21(17)29-22-11-7-5-9-18(22)23/h4-15,23H,1-3H3,(H,25,26)/t15-/m0/s1
InChIKeyLIRTWRURGULOTF-HNNXBMFYSA-N
XLogP4.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 100646824
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119691799
3-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119691798
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119272421
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide (CID 9194243) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide is COc1ccc(OC)c([C@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is LIRTWRURGULOTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15(19-14-16(27-2)12-13-20(19)28-3)25-24(26)23-17-8-4-6-10-21(17)29-22-11-7-5-9-18(22)23/h4-15,23H,1-3H3,(H,25,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 9194243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).