1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one

C17H26N2O2 — CID 115676486

IUPAC1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
SMILESCC(CCc1ccccc1)NCCC(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-15(7-8-16-5-3-2-4-6-16)18-10-9-17(20)19-11-13-21-14-12-19/h2-6,15,18H,7-14H2,1H3
InChIKeyWEUHRFKQMSUREV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.85
Rot. Bonds7

About 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one

1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one (PubChem CID 115676486) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
PubChem CID115676486
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
SMILESCC(CCc1ccccc1)NCCC(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-15(7-8-16-5-3-2-4-6-16)18-10-9-17(20)19-11-13-21-14-12-19/h2-6,15,18H,7-14H2,1H3
InChIKeyWEUHRFKQMSUREV-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
ethyl 3-(4-phenylbutan-2-ylamino)propanoate
CID 24773124
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
1-(1,4-diphenylbutyl)-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 47048242
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one (CID 115676486) is 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one is CC(CCc1ccccc1)NCCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one?
The InChIKey is WEUHRFKQMSUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-15(7-8-16-5-3-2-4-6-16)18-10-9-17(20)19-11-13-21-14-12-19/h2-6,15,18H,7-14H2,1H3.
What are the key properties of 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one?
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one is sourced from PubChem (CID 115676486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).