1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

C24H32N4O2 — CID 55578136

IUPAC1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCCCN1CCc2ccccc21)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H32N4O2/c29-24(25-11-5-12-28-13-10-20-6-3-4-9-23(20)28)26-18-21-7-1-2-8-22(21)19-27-14-16-30-17-15-27/h1-4,6-9H,5,10-19H2,(H2,25,26,29)
InChIKeyPOCIHKZGWHUZQX-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.77
Rot. Bonds8

About 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 55578136) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID55578136
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCCCN1CCc2ccccc21)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H32N4O2/c29-24(25-11-5-12-28-13-10-20-6-3-4-9-23(20)28)26-18-21-7-1-2-8-22(21)19-27-14-16-30-17-15-27/h1-4,6-9H,5,10-19H2,(H2,25,26,29)
InChIKeyPOCIHKZGWHUZQX-UHFFFAOYSA-N
XLogP2.77
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.77
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

1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
1-[3-(4-methylpyrazol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60610794
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
1-[2-(2-fluorophenyl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36873779
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one
CID 9396558
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 55578136) is 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is O=C(NCCCN1CCc2ccccc21)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is POCIHKZGWHUZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-24(25-11-5-12-28-13-10-20-6-3-4-9-23(20)28)26-18-21-7-1-2-8-22(21)19-27-14-16-30-17-15-27/h1-4,6-9H,5,10-19H2,(H2,25,26,29).
What are the key properties of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 408.55 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55578136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).