N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide

C25H32N2O4 — CID 123286247

IUPACN-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
SMILESCCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)C4CC(OC)C4)cc3)C2)cc1
InChIInChI=1S/C25H32N2O4/c1-4-30-21-11-7-20(8-12-21)27-15-24(16-27)31-22-9-5-18(6-10-22)17(2)26-25(28)19-13-23(14-19)29-3/h5-12,17,19,23-24H,4,13-16H2,1-3H3,(H,26,28)
InChIKeyZUPNFVKUOUEXRB-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.96
Rot. Bonds9

About N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide

N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide (PubChem CID 123286247) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
PubChem CID123286247
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
SMILESCCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)C4CC(OC)C4)cc3)C2)cc1
InChIInChI=1S/C25H32N2O4/c1-4-30-21-11-7-20(8-12-21)27-15-24(16-27)31-22-9-5-18(6-10-22)17(2)26-25(28)19-13-23(14-19)29-3/h5-12,17,19,23-24H,4,13-16H2,1-3H3,(H,26,28)
InChIKeyZUPNFVKUOUEXRB-UHFFFAOYSA-N
XLogP3.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
CID 78136916
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
CID 123494254
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123211751
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
3-[(1S)-1-[4-[1-(4-cyclopropyloxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-1,1-dimethylurea
CID 71622992
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
(3R)-3-amino-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopentane-1-carboxamide
CID 118473422
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123697575
(3R)-3-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]-1-(1,2-thiazol-5-yl)butan-1-one
CID 152814463
tert-butyl-[3-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethylcarbamoyl]cyclopentyl]carbamic acid
CID 118461334

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide (CID 123286247) is N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide is CCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)C4CC(OC)C4)cc3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
The InChIKey is ZUPNFVKUOUEXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-30-21-11-7-20(8-12-21)27-15-24(16-27)31-22-9-5-18(6-10-22)17(2)26-25(28)19-13-23(14-19)29-3/h5-12,17,19,23-24H,4,13-16H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 123286247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).