2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide

C25H25N3O4 — CID 55933822

IUPAC2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C25H25N3O4/c1-17(29)27-24(13-19-14-26-23-10-3-2-9-22(19)23)25(30)28-20-7-4-6-18(12-20)15-31-16-21-8-5-11-32-21/h2-12,14,24,26H,13,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyQNKIKXACGFQRMC-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.16
Rot. Bonds9

About 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55933822) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID55933822
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C25H25N3O4/c1-17(29)27-24(13-19-14-26-23-10-3-2-9-22(19)23)25(30)28-20-7-4-6-18(12-20)15-31-16-21-8-5-11-32-21/h2-12,14,24,26H,13,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyQNKIKXACGFQRMC-UHFFFAOYSA-N
XLogP4.16
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
CID 46510572
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-3-(1H-indol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55703253
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
benzyl N-[1-(3-fluoroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 42910074
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide (CID 55933822) is 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is QNKIKXACGFQRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17(29)27-24(13-19-14-26-23-10-3-2-9-22(19)23)25(30)28-20-7-4-6-18(12-20)15-31-16-21-8-5-11-32-21/h2-12,14,24,26H,13,15-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 431.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55933822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).