N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C19H18N2O4 — CID 71788660

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H18N2O4/c1-21-10-14(13-4-2-3-5-15(13)21)16(22)9-20-19(23)12-6-7-17-18(8-12)25-11-24-17/h2-8,10,16,22H,9,11H2,1H3,(H,20,23)
InChIKeyLJZXYXNMTHZYIW-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.37
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 71788660) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID71788660
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H18N2O4/c1-21-10-14(13-4-2-3-5-15(13)21)16(22)9-20-19(23)12-6-7-17-18(8-12)25-11-24-17/h2-8,10,16,22H,9,11H2,1H3,(H,20,23)
InChIKeyLJZXYXNMTHZYIW-UHFFFAOYSA-N
XLogP2.37
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 95982465
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71788669
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42219112
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 71788660) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide is Cn1cc(C(O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LJZXYXNMTHZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-10-14(13-4-2-3-5-15(13)21)16(22)9-20-19(23)12-6-7-17-18(8-12)25-11-24-17/h2-8,10,16,22H,9,11H2,1H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 71788660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).