N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide

C22H27N3O2 — CID 54724110

IUPACN-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-24(4-2)16-10-15-23-22(27)20-21(26)18-13-8-9-14-19(18)25(20)17-11-6-5-7-12-17/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,23,27)
InChIKeyQTSNGVQOCZAYMD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.80
Rot. Bonds8

About N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide

N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide (PubChem CID 54724110) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide
PubChem CID54724110
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-24(4-2)16-10-15-23-22(27)20-21(26)18-13-8-9-14-19(18)25(20)17-11-6-5-7-12-17/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,23,27)
InChIKeyQTSNGVQOCZAYMD-UHFFFAOYSA-N
XLogP3.80
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Talnetant
CID 5311424
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
N-(alpha-ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide
CID 133090
(4-benzylpiperidin-1-yl)-(6-hydroxy-1H-indol-2-yl)methanone
CID 9797767
N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
CID 10064737
5-hydroxy-N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 10445615
3-hydroxy-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide
CID 10691318
5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
CID 15211853
5-Hydroxy-N,1-dimethyl-N-phenyl-1H-indole-2-carboxamide
CID 15211855
N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide
CID 15211860
N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
CID 15211863
(6-hydroxy-1H-indole-2-yl)-(4-phenylamino-piperidine-1-yl)-methanone
CID 16110215

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide (CID 54724110) is N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide is CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide?
The InChIKey is QTSNGVQOCZAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-24(4-2)16-10-15-23-22(27)20-21(26)18-13-8-9-14-19(18)25(20)17-11-6-5-7-12-17/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide?
N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-hydroxy-1-phenylindole-2-carboxamide is sourced from PubChem (CID 54724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).