4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine

C18H25NO2 — CID 138514968

IUPAC4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine
SMILESC=C(/C=C/c1ccc(OCCCC)cc1)N1CCOCC1
InChIInChI=1S/C18H25NO2/c1-3-4-13-21-18-9-7-17(8-10-18)6-5-16(2)19-11-14-20-15-12-19/h5-10H,2-4,11-15H2,1H3/b6-5+
InChIKeyWCNMMNUPXWNSPP-AATRIKPKSA-N
MW287.40 g/mol
LogP3.72
Rot. Bonds7

About 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine

4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine (PubChem CID 138514968) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine
PubChem CID138514968
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine
SMILESC=C(/C=C/c1ccc(OCCCC)cc1)N1CCOCC1
InChIInChI=1S/C18H25NO2/c1-3-4-13-21-18-9-7-17(8-10-18)6-5-16(2)19-11-14-20-15-12-19/h5-10H,2-4,11-15H2,1H3/b6-5+
InChIKeyWCNMMNUPXWNSPP-AATRIKPKSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-butoxyphenyl)but-3-en-2-one
CID 2772143
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814820
3-(4-butoxyphenyl)-1-(5-methyl-1,3-dioxan-5-yl)prop-2-en-1-one
CID 4558536
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 2907636
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198
(4-butoxyphenyl) 3-(4-pentoxyphenyl)prop-2-enoate
CID 91291919

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine?
The IUPAC name of 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine (CID 138514968) is 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine?
The canonical SMILES for 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine is C=C(/C=C/c1ccc(OCCCC)cc1)N1CCOCC1.
What is the InChIKey of 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine?
The InChIKey is WCNMMNUPXWNSPP-AATRIKPKSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-13-21-18-9-7-17(8-10-18)6-5-16(2)19-11-14-20-15-12-19/h5-10H,2-4,11-15H2,1H3/b6-5+.
What are the key properties of 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine?
4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine has a molecular weight of 287.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine is sourced from PubChem (CID 138514968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).