N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide

C20H29N3O2 — CID 72710773

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H29N3O2/c1-5-6-9-12-23-13-15(14-10-7-8-11-16(14)23)19(25)22-17(18(21)24)20(2,3)4/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyIXUYMXAKKYWKRG-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.46
Rot. Bonds7

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide (PubChem CID 72710773) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide
PubChem CID72710773
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H29N3O2/c1-5-6-9-12-23-13-15(14-10-7-8-11-16(14)23)19(25)22-17(18(21)24)20(2,3)4/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyIXUYMXAKKYWKRG-UHFFFAOYSA-N
XLogP3.46
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.46
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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Related Compounds

Indoramin
CID 33625
Xlr 11
CID 57501498
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
Ilomastat
CID 132519
Anamorelin
CID 9828911
LY-517717
CID 9939865
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
Bisindolylmaleimide VIII
CID 2403
L-Valine, N-((1-(5-fluoropentyl)-1H-indol-3-yl)carbonyl)-3-methyl-, methyl ester
CID 129597835
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802
Tryptamide
CID 65768

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide (CID 72710773) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide is CCCCCn1cc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide?
The InChIKey is IXUYMXAKKYWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-6-9-12-23-13-15(14-10-7-8-11-16(14)23)19(25)22-17(18(21)24)20(2,3)4/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H2,21,24)(H,22,25).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide is sourced from PubChem (CID 72710773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).