N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide

C19H25N3O2 — CID 175427119

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide
SMILESC=CCCCn1cc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C19H25N3O2/c1-4-5-8-11-22-12-15(14-9-6-7-10-16(14)22)19(24)21-17(13(2)3)18(20)23/h4,6-7,9-10,12-13,17H,1,5,8,11H2,2-3H3,(H2,20,23)(H,21,24)
InChIKeyFPJJWINQUAPQJP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.85
Rot. Bonds8

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide (PubChem CID 175427119) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide
PubChem CID175427119
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide
SMILESC=CCCCn1cc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C19H25N3O2/c1-4-5-8-11-22-12-15(14-9-6-7-10-16(14)22)19(24)21-17(13(2)3)18(20)23/h4,6-7,9-10,12-13,17H,1,5,8,11H2,2-3H3,(H2,20,23)(H,21,24)
InChIKeyFPJJWINQUAPQJP-UHFFFAOYSA-N
XLogP2.85
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide (CID 175427119) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide is C=CCCCn1cc(C(=O)NC(C(N)=O)C(C)C)c2ccccc21.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide?
The InChIKey is FPJJWINQUAPQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-5-8-11-22-12-15(14-9-6-7-10-16(14)22)19(24)21-17(13(2)3)18(20)23/h4,6-7,9-10,12-13,17H,1,5,8,11H2,2-3H3,(H2,20,23)(H,21,24).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pent-4-enylindole-3-carboxamide is sourced from PubChem (CID 175427119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).