5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide

C17H24N2O3 — CID 138026827

IUPAC5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C[C@H](O)CO)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)12-5-6-14-11(7-12)8-15(18-14)16(22)19(4)9-13(21)10-20/h5-8,13,18,20-21H,9-10H2,1-4H3/t13-/m0/s1
InChIKeyBPKXFVPMKBIYFO-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds4

About 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide

5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 138026827) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID138026827
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C[C@H](O)CO)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)12-5-6-14-11(7-12)8-15(18-14)16(22)19(4)9-13(21)10-20/h5-8,13,18,20-21H,9-10H2,1-4H3/t13-/m0/s1
InChIKeyBPKXFVPMKBIYFO-ZDUSSCGKSA-N
XLogP1.89
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 86785981
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 111695348

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide (CID 138026827) is 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide is CN(C[C@H](O)CO)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is BPKXFVPMKBIYFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)12-5-6-14-11(7-12)8-15(18-14)16(22)19(4)9-13(21)10-20/h5-8,13,18,20-21H,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide?
5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 138026827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).