5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide

C19H21N3O2 — CID 110316221

IUPAC5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C19H21N3O2/c23-19(20-16-4-2-1-3-5-16)22-9-8-15-14-17(6-7-18(15)22)21-10-12-24-13-11-21/h1-7,14H,8-13H2,(H,20,23)
InChIKeyMLYYHIMEWTUWKO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds2

About 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide

5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide (PubChem CID 110316221) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
PubChem CID110316221
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C19H21N3O2/c23-19(20-16-4-2-1-3-5-16)22-9-8-15-14-17(6-7-18(15)22)21-10-12-24-13-11-21/h1-7,14H,8-13H2,(H,20,23)
InChIKeyMLYYHIMEWTUWKO-UHFFFAOYSA-N
XLogP3.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide (CID 110316221) is 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccccc1)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is MLYYHIMEWTUWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(20-16-4-2-1-3-5-16)22-9-8-15-14-17(6-7-18(15)22)21-10-12-24-13-11-21/h1-7,14H,8-13H2,(H,20,23).
What are the key properties of 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide?
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 110316221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).