N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C21H27N3O4 — CID 9162418

IUPACN-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc([C@H](C)NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C21H27N3O4/c1-14(2)11-16-6-8-17(9-7-16)15(3)24-20(26)13-22-19(25)12-23-21(27)18-5-4-10-28-18/h4-10,14-15H,11-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyYTSICCKAQYSYHF-HNNXBMFYSA-N
MW385.46 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9162418) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9162418
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc([C@H](C)NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C21H27N3O4/c1-14(2)11-16-6-8-17(9-7-16)15(3)24-20(26)13-22-19(25)12-23-21(27)18-5-4-10-28-18/h4-10,14-15H,11-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyYTSICCKAQYSYHF-HNNXBMFYSA-N
XLogP2.20
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396624
N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396618
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
N-(furan-2-ylmethyl)-2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111298670
N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9225176
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
CID 8995988
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9162418) is N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is CC(C)Cc1ccc([C@H](C)NC(=O)CNC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YTSICCKAQYSYHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)11-16-6-8-17(9-7-16)15(3)24-20(26)13-22-19(25)12-23-21(27)18-5-4-10-28-18/h4-10,14-15H,11-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)/t15-/m0/s1.
What are the key properties of N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9162418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).