N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide

C19H20N2O2 — CID 111825055

IUPACN-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-13-17(15-10-6-7-11-16(15)21-13)18(22)20-12-19(2,23)14-8-4-3-5-9-14/h3-11,21,23H,12H2,1-2H3,(H,20,22)
InChIKeyOKIVLUYWSBEYNF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.11
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide

N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide (PubChem CID 111825055) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
PubChem CID111825055
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-13-17(15-10-6-7-11-16(15)21-13)18(22)20-12-19(2,23)14-8-4-3-5-9-14/h3-11,21,23H,12H2,1-2H3,(H,20,22)
InChIKeyOKIVLUYWSBEYNF-UHFFFAOYSA-N
XLogP3.11
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-1H-indole-3-carboxamide
CID 111912254
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
2-ethyl-2-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 79814346
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
CID 81066281
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide (CID 111825055) is N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide?
The InChIKey is OKIVLUYWSBEYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-17(15-10-6-7-11-16(15)21-13)18(22)20-12-19(2,23)14-8-4-3-5-9-14/h3-11,21,23H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 111825055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).