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

C24H29N3O2 — CID 110501398

IUPAC1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-3-4-13-27-22-8-6-5-7-21(22)18(2)23(27)24(28)25-19-9-11-20(12-10-19)26-14-16-29-17-15-26/h5-12H,3-4,13-17H2,1-2H3,(H,25,28)
InChIKeyQRUXWMOPXKHXDC-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.84
Rot. Bonds6

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

1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide (PubChem CID 110501398) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
PubChem CID110501398
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
SMILESCCCCn1c(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-3-4-13-27-22-8-6-5-7-21(22)18(2)23(27)24(28)25-19-9-11-20(12-10-19)26-14-16-29-17-15-26/h5-12H,3-4,13-17H2,1-2H3,(H,25,28)
InChIKeyQRUXWMOPXKHXDC-UHFFFAOYSA-N
XLogP4.84
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
1-butyl-3-methyl-N-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501236
2-(diethylamino)ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501276
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 29154591
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307
1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
CID 110503514

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide?
The IUPAC name of 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide (CID 110501398) is 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide.
What is the SMILES notation for 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide?
The canonical SMILES for 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide is CCCCn1c(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide?
The InChIKey is QRUXWMOPXKHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-4-13-27-22-8-6-5-7-21(22)18(2)23(27)24(28)25-19-9-11-20(12-10-19)26-14-16-29-17-15-26/h5-12H,3-4,13-17H2,1-2H3,(H,25,28).
What are the key properties of 1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide?
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.84, 6 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-(4-morpholin-4-ylphenyl)indole-2-carboxamide is sourced from PubChem (CID 110501398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).