2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide

C17H16N2O2 — CID 32579620

IUPAC2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NOCc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-16(14-9-5-6-10-15(14)18-12)17(20)19-21-11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyDGDCUIIKFUGVLH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide

2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide (PubChem CID 32579620) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
PubChem CID32579620
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NOCc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-16(14-9-5-6-10-15(14)18-12)17(20)19-21-11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyDGDCUIIKFUGVLH-UHFFFAOYSA-N
XLogP3.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
methyl 2,4-dimethyl-5-(phenylmethoxycarbamoyl)-1H-pyrrole-3-carboxylate
CID 17426403
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
CID 26808263
N-[benzyl(methyl)sulfamoyl]-2-methyl-1H-indole-3-carboxamide
CID 75415661
2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 79814346
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide (CID 32579620) is 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NOCc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide?
The InChIKey is DGDCUIIKFUGVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-16(14-9-5-6-10-15(14)18-12)17(20)19-21-11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide?
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 32579620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).