N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide

C20H22N2O2 — CID 111471562

IUPACN-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCCC(O)c3ccccc3)cccc2c1C
InChIInChI=1S/C20H22N2O2/c1-13-14(2)22-19-16(13)9-6-10-17(19)20(24)21-12-11-18(23)15-7-4-3-5-8-15/h3-10,18,22-23H,11-12H2,1-2H3,(H,21,24)
InChIKeyHPTJRHAFPSNMQU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.64
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide

N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 111471562) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID111471562
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCCC(O)c3ccccc3)cccc2c1C
InChIInChI=1S/C20H22N2O2/c1-13-14(2)22-19-16(13)9-6-10-17(19)20(24)21-12-11-18(23)15-7-4-3-5-8-15/h3-10,18,22-23H,11-12H2,1-2H3,(H,21,24)
InChIKeyHPTJRHAFPSNMQU-UHFFFAOYSA-N
XLogP3.64
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
3-bromo-N-(3-hydroxy-3-phenylpropyl)-2-methylbenzamide
CID 111471803
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111697659
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide (CID 111471562) is N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NCCC(O)c3ccccc3)cccc2c1C.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is HPTJRHAFPSNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-14(2)22-19-16(13)9-6-10-17(19)20(24)21-12-11-18(23)15-7-4-3-5-8-15/h3-10,18,22-23H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 111471562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).