4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane

C22H43N3O2 — CID 170009594

IUPAC4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane
SMILESCC(C)N1CCC(CC(C)N2CCOC(CC(C)N3CCCOCC3)C2)C1
InChIInChI=1S/C22H43N3O2/c1-18(2)24-8-6-21(16-24)14-19(3)25-10-13-27-22(17-25)15-20(4)23-7-5-11-26-12-9-23/h18-22H,5-17H2,1-4H3
InChIKeyFDAOMUBCRDVGLY-UHFFFAOYSA-N
MW381.61 g/mol
LogP2.70
Rot. Bonds7

About 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane

4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane (PubChem CID 170009594) has the molecular formula C22H43N3O2 and a molecular weight of 381.61 g/mol. Its IUPAC name is 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane
PubChem CID170009594
Molecular FormulaC22H43N3O2
Molecular Weight381.61 g/mol
Exact Mass381.34
IUPAC Name4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane
SMILESCC(C)N1CCC(CC(C)N2CCOC(CC(C)N3CCCOCC3)C2)C1
InChIInChI=1S/C22H43N3O2/c1-18(2)24-8-6-21(16-24)14-19(3)25-10-13-27-22(17-25)15-20(4)23-7-5-11-26-12-9-23/h18-22H,5-17H2,1-4H3
InChIKeyFDAOMUBCRDVGLY-UHFFFAOYSA-N
XLogP2.70
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-piperidin-1-ylpropyl)-4-propan-2-ylmorpholine
CID 170192715
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-[(2S)-1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 129190094
4-tert-butyl-2-(2-piperidin-1-ylpropyl)morpholine
CID 167073041
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
4-propan-2-yl-2-propylmorpholine
CID 118118152
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
4-(1-pyrrolidin-3-ylpropan-2-yl)morpholine
CID 105451785
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane?
The IUPAC name of 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane (CID 170009594) is 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane.
What is the SMILES notation for 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane?
The canonical SMILES for 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane is CC(C)N1CCC(CC(C)N2CCOC(CC(C)N3CCCOCC3)C2)C1.
What is the InChIKey of 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane?
The InChIKey is FDAOMUBCRDVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O2/c1-18(2)24-8-6-21(16-24)14-19(3)25-10-13-27-22(17-25)15-20(4)23-7-5-11-26-12-9-23/h18-22H,5-17H2,1-4H3.
What are the key properties of 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane?
4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane has a molecular weight of 381.61 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]morpholin-2-yl]propan-2-yl]-1,4-oxazepane is sourced from PubChem (CID 170009594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).