N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide

C24H22N4O4 — CID 46510572

IUPACN-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H22N4O4/c1-15(29)26-21(12-16-14-25-20-9-3-2-8-19(16)20)23(30)27-17-6-4-7-18(13-17)28-24(31)22-10-5-11-32-22/h2-11,13-14,21,25H,12H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyYYBRUDIRULTFBD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.70
Rot. Bonds7

About N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 46510572) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
PubChem CID46510572
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H22N4O4/c1-15(29)26-21(12-16-14-25-20-9-3-2-8-19(16)20)23(30)27-17-6-4-7-18(13-17)28-24(31)22-10-5-11-32-22/h2-11,13-14,21,25H,12H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyYYBRUDIRULTFBD-UHFFFAOYSA-N
XLogP3.70
TPSA116.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 55933822
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
CID 51339051
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55703253
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide (CID 46510572) is N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is YYBRUDIRULTFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15(29)26-21(12-16-14-25-20-9-3-2-8-19(16)20)23(30)27-17-6-4-7-18(13-17)28-24(31)22-10-5-11-32-22/h2-11,13-14,21,25H,12H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46510572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).