(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide

C23H22N2O3 — CID 2317955

IUPAC(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)NCc1ccccc1)oc1ccccc12
InChIInChI=1S/C23H22N2O3/c1-15(24-14-16-8-4-3-5-9-16)23(26)25-19-13-21-18(12-22(19)27-2)17-10-6-7-11-20(17)28-21/h3-13,15,24H,14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyKGCACXSWZYRARR-HNNXBMFYSA-N
MW374.44 g/mol
LogP4.71
Rot. Bonds6

About (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide

(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 2317955) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID2317955
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)NCc1ccccc1)oc1ccccc12
InChIInChI=1S/C23H22N2O3/c1-15(24-14-16-8-4-3-5-9-16)23(26)25-19-13-21-18(12-22(19)27-2)17-10-6-7-11-20(17)28-21/h3-13,15,24H,14H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyKGCACXSWZYRARR-HNNXBMFYSA-N
XLogP4.71
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2402948
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8920314
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8877982
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054812

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 2317955) is (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@H](C)NCc1ccccc1)oc1ccccc12.
What is the InChIKey of (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is KGCACXSWZYRARR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15(24-14-16-8-4-3-5-9-16)23(26)25-19-13-21-18(12-22(19)27-2)17-10-6-7-11-20(17)28-21/h3-13,15,24H,14H2,1-2H3,(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 2317955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).