N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide

C28H35N3O2 — CID 83279781

IUPACN-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)cc(C(=O)N1CCCC1)n2Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H35N3O2/c1-19(2)26(32)29-23-12-13-24-21(16-23)17-25(27(33)30-14-6-7-15-30)31(24)18-20-8-10-22(11-9-20)28(3,4)5/h8-13,16-17,19H,6-7,14-15,18H2,1-5H3,(H,29,32)
InChIKeyFXNVQQMEYGAUPQ-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.82
Rot. Bonds5

About N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide

N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide (PubChem CID 83279781) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide
PubChem CID83279781
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)cc(C(=O)N1CCCC1)n2Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H35N3O2/c1-19(2)26(32)29-23-12-13-24-21(16-23)17-25(27(33)30-14-6-7-15-30)31(24)18-20-8-10-22(11-9-20)28(3,4)5/h8-13,16-17,19H,6-7,14-15,18H2,1-5H3,(H,29,32)
InChIKeyFXNVQQMEYGAUPQ-UHFFFAOYSA-N
XLogP5.82
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]acetamide
CID 91635112
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115
4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83280162
[2-bromo-4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46040020
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
1-[(4-tert-butylphenyl)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]indole-2-carboxamide
CID 83272478
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide (CID 83279781) is N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)cc(C(=O)N1CCCC1)n2Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide?
The InChIKey is FXNVQQMEYGAUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-19(2)26(32)29-23-12-13-24-21(16-23)17-25(27(33)30-14-6-7-15-30)31(24)18-20-8-10-22(11-9-20)28(3,4)5/h8-13,16-17,19H,6-7,14-15,18H2,1-5H3,(H,29,32).
What are the key properties of N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide?
N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide has a molecular weight of 445.61 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 83279781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).