N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide

C24H23NO4 — CID 1246375

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC
InChIInChI=1S/C24H23NO4/c1-15(16-12-13-21(27-2)22(14-16)28-3)25-24(26)23-17-8-4-6-10-19(17)29-20-11-7-5-9-18(20)23/h4-15,23H,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyVPEBSNZZDPBGLN-OAHLLOKOSA-N
MW389.45 g/mol
LogP4.82
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 1246375) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID1246375
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC
InChIInChI=1S/C24H23NO4/c1-15(16-12-13-21(27-2)22(14-16)28-3)25-24(26)23-17-8-4-6-10-19(17)29-20-11-7-5-9-18(20)23/h4-15,23H,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyVPEBSNZZDPBGLN-OAHLLOKOSA-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

(3R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92677021
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287489
(2R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 38012735
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
1-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 62359902
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55638891
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide (CID 1246375) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide is COc1ccc([C@@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is VPEBSNZZDPBGLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15(16-12-13-21(27-2)22(14-16)28-3)25-24(26)23-17-8-4-6-10-19(17)29-20-11-7-5-9-18(20)23/h4-15,23H,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide?
N-[(1R)-1-(3,4-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-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1246375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).