(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one

C23H29N3O2 — CID 9396558

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one
SMILESC[C@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-18(23(27)26-11-10-19-6-4-5-9-22(19)26)24-16-20-7-2-3-8-21(20)17-25-12-14-28-15-13-25/h2-9,18,24H,10-17H2,1H3/t18-/m0/s1
InChIKeyHMNMNFJXRVJXHB-SFHVURJKSA-N
MW379.50 g/mol
LogP2.59
Rot. Bonds6

About (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one (PubChem CID 9396558) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one
PubChem CID9396558
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one
SMILESC[C@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-18(23(27)26-11-10-19-6-4-5-9-22(19)26)24-16-20-7-2-3-8-21(20)17-25-12-14-28-15-13-25/h2-9,18,24H,10-17H2,1H3/t18-/m0/s1
InChIKeyHMNMNFJXRVJXHB-SFHVURJKSA-N
XLogP2.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036311
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 31483547
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036296
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55578136
4-[(2S)-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41154698
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one (CID 9396558) is (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one is C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one?
The InChIKey is HMNMNFJXRVJXHB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(23(27)26-11-10-19-6-4-5-9-22(19)26)24-16-20-7-2-3-8-21(20)17-25-12-14-28-15-13-25/h2-9,18,24H,10-17H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one has a molecular weight of 379.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propan-1-one is sourced from PubChem (CID 9396558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).