N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide

C19H27N3O2 — CID 155534192

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide
SMILESCCCCCn1c(C(=O)N[C@H](C(N)=O)C(C)C)cc2ccccc21
InChIInChI=1S/C19H27N3O2/c1-4-5-8-11-22-15-10-7-6-9-14(15)12-16(22)19(24)21-17(13(2)3)18(20)23/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3,(H2,20,23)(H,21,24)/t17-/m0/s1
InChIKeyMUOMRMYIZWNKFA-KRWDZBQOSA-N
MW329.44 g/mol
LogP3.07
Rot. Bonds8

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide (PubChem CID 155534192) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide
PubChem CID155534192
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide
SMILESCCCCCn1c(C(=O)N[C@H](C(N)=O)C(C)C)cc2ccccc21
InChIInChI=1S/C19H27N3O2/c1-4-5-8-11-22-15-10-7-6-9-14(15)12-16(22)19(24)21-17(13(2)3)18(20)23/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3,(H2,20,23)(H,21,24)/t17-/m0/s1
InChIKeyMUOMRMYIZWNKFA-KRWDZBQOSA-N
XLogP3.07
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide (CID 155534192) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide is CCCCCn1c(C(=O)N[C@H](C(N)=O)C(C)C)cc2ccccc21.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide?
The InChIKey is MUOMRMYIZWNKFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-5-8-11-22-15-10-7-6-9-14(15)12-16(22)19(24)21-17(13(2)3)18(20)23/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3,(H2,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindole-2-carboxamide is sourced from PubChem (CID 155534192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).