N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide

C19H19N3O4 — CID 17403987

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c1-13-6-7-18(17(10-13)22(24)25)26-12-19(23)20-9-8-14-11-21-16-5-3-2-4-15(14)16/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,23)
InChIKeyLXRJQONBCMWOJM-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 17403987) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID17403987
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c1-13-6-7-18(17(10-13)22(24)25)26-12-19(23)20-9-8-14-11-21-16-5-3-2-4-15(14)16/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,23)
InChIKeyLXRJQONBCMWOJM-UHFFFAOYSA-N
XLogP3.12
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4837681
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805917
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229214
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405572
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate
CID 8846694
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807940
(2-nitrophenyl)methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 24807702
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 17403987) is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is LXRJQONBCMWOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-6-7-18(17(10-13)22(24)25)26-12-19(23)20-9-8-14-11-21-16-5-3-2-4-15(14)16/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 353.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 17403987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).