N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide

C19H20N2O2 — CID 97228097

IUPACN-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
SMILESC[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C19H20N2O2/c1-13(12-17(22)14-6-3-2-4-7-14)21-19(23)16-9-5-8-15-10-11-20-18(15)16/h2-11,13,17,20,22H,12H2,1H3,(H,21,23)/t13-,17-/m1/s1
InChIKeySNCKKDVYDGNLSP-CXAGYDPISA-N
MW308.38 g/mol
LogP3.41
Rot. Bonds5

About N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide

N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide (PubChem CID 97228097) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
PubChem CID97228097
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
SMILESC[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C19H20N2O2/c1-13(12-17(22)14-6-3-2-4-7-14)21-19(23)16-9-5-8-15-10-11-20-18(15)16/h2-11,13,17,20,22H,12H2,1H3,(H,21,23)/t13-,17-/m1/s1
InChIKeySNCKKDVYDGNLSP-CXAGYDPISA-N
XLogP3.41
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
CID 71983052
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
N-[(2R)-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]-1H-indole-7-carboxamide
CID 96560584
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
CID 120636797
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide (CID 97228097) is N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide is C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide?
The InChIKey is SNCKKDVYDGNLSP-CXAGYDPISA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(12-17(22)14-6-3-2-4-7-14)21-19(23)16-9-5-8-15-10-11-20-18(15)16/h2-11,13,17,20,22H,12H2,1H3,(H,21,23)/t13-,17-/m1/s1.
What are the key properties of N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide?
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 97228097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).