(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide

C22H22N2O4 — CID 8920314

IUPAC(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)N[C@@H](C)c1ccco1)oc1ccccc12
InChIInChI=1S/C22H22N2O4/c1-13(18-9-6-10-27-18)23-14(2)22(25)24-17-12-20-16(11-21(17)26-3)15-7-4-5-8-19(15)28-20/h4-14,23H,1-3H3,(H,24,25)/t13-,14-/m0/s1
InChIKeyPBMWOJLMMDGJFU-KBPBESRZSA-N
MW378.43 g/mol
LogP4.87
Rot. Bonds6

About (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide

(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 8920314) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID8920314
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)N[C@@H](C)c1ccco1)oc1ccccc12
InChIInChI=1S/C22H22N2O4/c1-13(18-9-6-10-27-18)23-14(2)22(25)24-17-12-20-16(11-21(17)26-3)15-7-4-5-8-19(15)28-20/h4-14,23H,1-3H3,(H,24,25)/t13-,14-/m0/s1
InChIKeyPBMWOJLMMDGJFU-KBPBESRZSA-N
XLogP4.87
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide 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

(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3257798
(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2402948
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 8920314) is (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@H](C)N[C@@H](C)c1ccco1)oc1ccccc12.
What is the InChIKey of (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is PBMWOJLMMDGJFU-KBPBESRZSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13(18-9-6-10-27-18)23-14(2)22(25)24-17-12-20-16(11-21(17)26-3)15-7-4-5-8-19(15)28-20/h4-14,23H,1-3H3,(H,24,25)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 8920314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).