N-methoxy-N-propyl-1H-indole-4-carboxamide

C13H16N2O2 — CID 114277166

IUPACN-methoxy-N-propyl-1H-indole-4-carboxamide
SMILESCCCN(OC)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2O2/c1-3-9-15(17-2)13(16)11-5-4-6-12-10(11)7-8-14-12/h4-8,14H,3,9H2,1-2H3
InChIKeyIRWJMDSUDCSFAN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.58
Rot. Bonds4

About N-methoxy-N-propyl-1H-indole-4-carboxamide

N-methoxy-N-propyl-1H-indole-4-carboxamide (PubChem CID 114277166) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-methoxy-N-propyl-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-propyl-1H-indole-4-carboxamide
PubChem CID114277166
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-methoxy-N-propyl-1H-indole-4-carboxamide
SMILESCCCN(OC)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2O2/c1-3-9-15(17-2)13(16)11-5-4-6-12-10(11)7-8-14-12/h4-8,14H,3,9H2,1-2H3
InChIKeyIRWJMDSUDCSFAN-UHFFFAOYSA-N
XLogP2.58
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
CID 60958905
3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
CID 62827427
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
CID 60959512
3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
3-[ethyl(1H-indole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62827566
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
1H-indole-4-carbonyl bromide
CID 175285982
1H-indole-4-carboxylate
CID 6951562
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-propyl-1H-indole-4-carboxamide?
The IUPAC name of N-methoxy-N-propyl-1H-indole-4-carboxamide (CID 114277166) is N-methoxy-N-propyl-1H-indole-4-carboxamide.
What is the SMILES notation for N-methoxy-N-propyl-1H-indole-4-carboxamide?
The canonical SMILES for N-methoxy-N-propyl-1H-indole-4-carboxamide is CCCN(OC)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-methoxy-N-propyl-1H-indole-4-carboxamide?
The InChIKey is IRWJMDSUDCSFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9-15(17-2)13(16)11-5-4-6-12-10(11)7-8-14-12/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-methoxy-N-propyl-1H-indole-4-carboxamide?
N-methoxy-N-propyl-1H-indole-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-propyl-1H-indole-4-carboxamide is sourced from PubChem (CID 114277166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).