4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide

C29H37N3O2 — CID 83280162

IUPAC4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
SMILESCC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C29H37N3O2/c1-20(2)14-17-32-25-13-12-24(18-22(25)19-26(32)28(34)31-15-6-7-16-31)30-27(33)21-8-10-23(11-9-21)29(3,4)5/h8-13,18-20H,6-7,14-17H2,1-5H3,(H,30,33)
InChIKeyRRUNIJKUGUPGAK-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.47
Rot. Bonds6

About 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide

4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide (PubChem CID 83280162) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
PubChem CID83280162
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
SMILESCC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C29H37N3O2/c1-20(2)14-17-32-25-13-12-24(18-22(25)19-26(32)28(34)31-15-6-7-16-31)30-27(33)21-8-10-23(11-9-21)29(3,4)5/h8-13,18-20H,6-7,14-17H2,1-5H3,(H,30,33)
InChIKeyRRUNIJKUGUPGAK-UHFFFAOYSA-N
XLogP6.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide
CID 83279781
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
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]acetamide
CID 91635112
N-[1-[(4-tert-butylphenyl)methyl]-2-(4-ethylpiperazine-1-carbonyl)indol-5-yl]cyclopropanecarboxamide
CID 91635115
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
CID 91635069
N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide (CID 83280162) is 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide is CC(C)CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
The InChIKey is RRUNIJKUGUPGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-20(2)14-17-32-25-13-12-24(18-22(25)19-26(32)28(34)31-15-6-7-16-31)30-27(33)21-8-10-23(11-9-21)29(3,4)5/h8-13,18-20H,6-7,14-17H2,1-5H3,(H,30,33).
What are the key properties of 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide has a molecular weight of 459.63 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide is sourced from PubChem (CID 83280162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).