1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone

C12H24N2O3 — CID 62342996

IUPAC1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
SMILESCC(C)NCCCOCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2)13-4-3-7-17-10-12(15)14-5-8-16-9-6-14/h11,13H,3-10H2,1-2H3
InChIKeyCWUXTOHHGANXOH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds7

About 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone

1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone (PubChem CID 62342996) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
PubChem CID62342996
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
SMILESCC(C)NCCCOCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2)13-4-3-7-17-10-12(15)14-5-8-16-9-6-14/h11,13H,3-10H2,1-2H3
InChIKeyCWUXTOHHGANXOH-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
2-(3-ethoxypropylamino)-1-morpholin-4-ylethanone
CID 28584674
2-[3-(2-methylpropoxy)propylamino]-1-morpholin-4-ylpropan-1-one
CID 103605790
2-[3-(2-methoxyethoxy)propylamino]-1-morpholin-4-ylethanone
CID 113219536
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 56872565
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
2-(1-iodoethoxy)-1-morpholin-4-ylethanone
CID 139461043
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
N-cyclopentyl-2-[3-(propan-2-ylamino)propoxy]acetamide
CID 62341857

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone (CID 62342996) is 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone is CC(C)NCCCOCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone?
The InChIKey is CWUXTOHHGANXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2)13-4-3-7-17-10-12(15)14-5-8-16-9-6-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone?
1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone has a molecular weight of 244.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone is sourced from PubChem (CID 62342996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).