1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

C20H29N3O2 — CID 110497283

IUPAC1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCCN2CCOCC2)c(C)c2ccccc21
InChIInChI=1S/C20H29N3O2/c1-3-4-10-23-18-8-6-5-7-17(18)16(2)19(23)20(24)21-9-11-22-12-14-25-15-13-22/h5-8H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyJBXULOLURZMSKC-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.81
Rot. Bonds7

About 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide

1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (PubChem CID 110497283) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
PubChem CID110497283
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCCN2CCOCC2)c(C)c2ccccc21
InChIInChI=1S/C20H29N3O2/c1-3-4-10-23-18-8-6-5-7-17(18)16(2)19(23)20(24)21-9-11-22-12-14-25-15-13-22/h5-8H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyJBXULOLURZMSKC-UHFFFAOYSA-N
XLogP2.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 46134442
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The IUPAC name of 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide (CID 110497283) is 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The canonical SMILES for 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is CCCCn1c(C(=O)NCCN2CCOCC2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
The InChIKey is JBXULOLURZMSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-4-10-23-18-8-6-5-7-17(18)16(2)19(23)20(24)21-9-11-22-12-14-25-15-13-22/h5-8H,3-4,9-15H2,1-2H3,(H,21,24).
What are the key properties of 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide?
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 110497283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).