N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide

C19H19N3O4 — CID 90535057

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCn1cc(C(O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C19H19N3O4/c1-21-12-16(15-4-2-3-5-17(15)21)18(23)11-20-19(24)10-13-6-8-14(9-7-13)22(25)26/h2-9,12,18,23H,10-11H2,1H3,(H,20,24)
InChIKeyBKDKKWWQZNAQKP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.48
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 90535057) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID90535057
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCn1cc(C(O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C19H19N3O4/c1-21-12-16(15-4-2-3-5-17(15)21)18(23)11-20-19(24)10-13-6-8-14(9-7-13)22(25)26/h2-9,12,18,23H,10-11H2,1H3,(H,20,24)
InChIKeyBKDKKWWQZNAQKP-UHFFFAOYSA-N
XLogP2.48
TPSA97.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
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
2-(2-fluorophenoxy)-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414037
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
CID 90497285
1-methyl-3-[2-nitro-1-(4-nitrophenyl)ethyl]indole
CID 135011392
N-(3-hydroxy-2-methylpropyl)-2-(4-nitrophenyl)acetamide
CID 65032219
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide (CID 90535057) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide is Cn1cc(C(O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is BKDKKWWQZNAQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-21-12-16(15-4-2-3-5-17(15)21)18(23)11-20-19(24)10-13-6-8-14(9-7-13)22(25)26/h2-9,12,18,23H,10-11H2,1H3,(H,20,24).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.48, 6 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]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 90535057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).