7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one

C25H30N2O3 — CID 9266024

IUPAC7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one
SMILESCCc1ccc2c(CN[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C25H30N2O3/c1-3-19-9-10-22-21(16-24(28)30-23(22)15-19)17-26-18(2)25(20-7-5-4-6-8-20)27-11-13-29-14-12-27/h4-10,15-16,18,25-26H,3,11-14,17H2,1-2H3/t18-,25+/m0/s1
InChIKeyXMZLSMNOUOXXPA-AVRWGWEMSA-N
MW406.53 g/mol
LogP3.91
Rot. Bonds7

About 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one

7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one (PubChem CID 9266024) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one
PubChem CID9266024
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one
SMILESCCc1ccc2c(CN[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)cc(=O)oc2c1
InChIInChI=1S/C25H30N2O3/c1-3-19-9-10-22-21(16-24(28)30-23(22)15-19)17-26-18(2)25(20-7-5-4-6-8-20)27-11-13-29-14-12-27/h4-10,15-16,18,25-26H,3,11-14,17H2,1-2H3/t18-,25+/m0/s1
InChIKeyXMZLSMNOUOXXPA-AVRWGWEMSA-N
XLogP3.91
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one with MolForge

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Related Compounds

7-ethyl-4-[[[(2R)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264105
4-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-hydroxychromen-2-one
CID 8992297
7-ethyl-4-[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]chromen-2-one
CID 9052092
4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]-7-ethylchromen-2-one
CID 9264006
7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
CID 9256149
4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-ethylchromen-2-one
CID 3448856
4-[[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-7-ethylchromen-2-one
CID 9256104
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
CID 100894383
2-[(7-ethyl-2-oxochromen-4-yl)methylamino]-N-phenylbenzamide
CID 9347721
(2S)-2-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 83193373
6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9265997

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one?
The IUPAC name of 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one (CID 9266024) is 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one.
What is the SMILES notation for 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one?
The canonical SMILES for 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one is CCc1ccc2c(CN[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one?
The InChIKey is XMZLSMNOUOXXPA-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-3-19-9-10-22-21(16-24(28)30-23(22)15-19)17-26-18(2)25(20-7-5-4-6-8-20)27-11-13-29-14-12-27/h4-10,15-16,18,25-26H,3,11-14,17H2,1-2H3/t18-,25+/m0/s1.
What are the key properties of 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one?
7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[[[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]methyl]chromen-2-one is sourced from PubChem (CID 9266024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).