4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine

C30H40N2O3 — CID 141493326

IUPAC4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine
SMILESc1ccc(C(OC(c2ccccc2)C2CC(N3CCOCC3)C2)C2CC(N3CCOCC3)C2)cc1
InChIInChI=1S/C30H40N2O3/c1-3-7-23(8-4-1)29(25-19-27(20-25)31-11-15-33-16-12-31)35-30(24-9-5-2-6-10-24)26-21-28(22-26)32-13-17-34-18-14-32/h1-10,25-30H,11-22H2
InChIKeyHBRWXVURWMFNRV-UHFFFAOYSA-N
MW476.66 g/mol
LogP4.71
Rot. Bonds8

About 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine

4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine (PubChem CID 141493326) has the molecular formula C30H40N2O3 and a molecular weight of 476.66 g/mol. Its IUPAC name is 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine.

Molecular Properties

Compound Name4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine
PubChem CID141493326
Molecular FormulaC30H40N2O3
Molecular Weight476.66 g/mol
Exact Mass476.30
IUPAC Name4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine
SMILESc1ccc(C(OC(c2ccccc2)C2CC(N3CCOCC3)C2)C2CC(N3CCOCC3)C2)cc1
InChIInChI=1S/C30H40N2O3/c1-3-7-23(8-4-1)29(25-19-27(20-25)31-11-15-33-16-12-31)35-30(24-9-5-2-6-10-24)26-21-28(22-26)32-13-17-34-18-14-32/h1-10,25-30H,11-22H2
InChIKeyHBRWXVURWMFNRV-UHFFFAOYSA-N
XLogP4.71
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
4-(3-phenylcyclohexyl)morpholine
CID 174746441
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(3-propan-2-ylcyclopentyl)morpholine
CID 165136279
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
3-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 63171689
(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol
CID 101454375
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
(3R)-3-morpholin-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7377881
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine?
The IUPAC name of 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine (CID 141493326) is 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine.
What is the SMILES notation for 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine?
The canonical SMILES for 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine is c1ccc(C(OC(c2ccccc2)C2CC(N3CCOCC3)C2)C2CC(N3CCOCC3)C2)cc1.
What is the InChIKey of 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine?
The InChIKey is HBRWXVURWMFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O3/c1-3-7-23(8-4-1)29(25-19-27(20-25)31-11-15-33-16-12-31)35-30(24-9-5-2-6-10-24)26-21-28(22-26)32-13-17-34-18-14-32/h1-10,25-30H,11-22H2.
What are the key properties of 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine?
4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine has a molecular weight of 476.66 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(3-morpholin-4-ylcyclobutyl)-phenylmethoxy]-phenylmethyl]cyclobutyl]morpholine is sourced from PubChem (CID 141493326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).