6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide

C19H19N3O4 — CID 33115374

IUPAC6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1
InChIInChI=1S/C19H19N3O4/c1-12(13-5-4-6-15(9-13)22(24)25)21(2)19(23)18-10-14-7-8-16(26-3)11-17(14)20-18/h4-12,20H,1-3H3/t12-/m1/s1
InChIKeyRUFMPKKBBMVYTQ-GFCCVEGCSA-N
MW353.38 g/mol
LogP3.92
Rot. Bonds5

About 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide

6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 33115374) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID33115374
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1
InChIInChI=1S/C19H19N3O4/c1-12(13-5-4-6-15(9-13)22(24)25)21(2)19(23)18-10-14-7-8-16(26-3)11-17(14)20-18/h4-12,20H,1-3H3/t12-/m1/s1
InChIKeyRUFMPKKBBMVYTQ-GFCCVEGCSA-N
XLogP3.92
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-methyl-N-[1-(3-nitrophenyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24674767
3-[(4-methoxyphenyl)methyl]-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8561038
2-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 103029241
2-[(4-methoxybenzoyl)-methylamino]-2-(3-nitrophenyl)acetic acid
CID 50901821
(1S)-N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-nitrophenyl)ethanamine
CID 27119840
[1-(4-nitroanilino)-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55547042
2-(azetidin-3-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116678603
N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
CID 95145430
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-3-nitrobenzamide
CID 1422756

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide (CID 33115374) is 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is RUFMPKKBBMVYTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(13-5-4-6-15(9-13)22(24)25)21(2)19(23)18-10-14-7-8-16(26-3)11-17(14)20-18/h4-12,20H,1-3H3/t12-/m1/s1.
What are the key properties of 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide?
6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 33115374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).