5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide

C15H21N3O2 — CID 79383870

IUPAC5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H21N3O2/c1-4-18(9-15(2,3)20)14(19)12-8-17-13-6-5-10(16)7-11(12)13/h5-8,17,20H,4,9,16H2,1-3H3
InChIKeyPWBQWAXRDMWQBR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds4

About 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide

5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide (PubChem CID 79383870) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
PubChem CID79383870
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H21N3O2/c1-4-18(9-15(2,3)20)14(19)12-8-17-13-6-5-10(16)7-11(12)13/h5-8,17,20H,4,9,16H2,1-3H3
InChIKeyPWBQWAXRDMWQBR-UHFFFAOYSA-N
XLogP1.98
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
CID 63116714
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 63116764
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492
5-amino-1H-indole-3-carboxylate
CID 36690512
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 63116787
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide (CID 79383870) is 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide?
The InChIKey is PWBQWAXRDMWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(9-15(2,3)20)14(19)12-8-17-13-6-5-10(16)7-11(12)13/h5-8,17,20H,4,9,16H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide?
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 79383870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).