methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate

C21H26N2O4 — CID 78136916

IUPACmethyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
SMILESCCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)OC)cc3)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-26-18-11-7-17(8-12-18)23-13-20(14-23)27-19-9-5-16(6-10-19)15(2)22-21(24)25-3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyWXTZKTRXTALJCJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.77
Rot. Bonds7

About methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate

methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate (PubChem CID 78136916) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
PubChem CID78136916
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namemethyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
SMILESCCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)OC)cc3)C2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-26-18-11-7-17(8-12-18)23-13-20(14-23)27-19-9-5-16(6-10-19)15(2)22-21(24)25-3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyWXTZKTRXTALJCJ-UHFFFAOYSA-N
XLogP3.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.77
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

N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
CID 123494254
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123286247
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
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
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
methyl N-[(1S)-1-[4-[1-[2-[ethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]carbamate
CID 91824912
N-[(1S)-1-[4-[1-[4-(3-fluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473437
N-[1-[4-[1-(4-ethoxy-2-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123373730
N-[(1S)-1-[4-[1-(4-ethoxy-2-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473436

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate?
The IUPAC name of methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate (CID 78136916) is methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate.
What is the SMILES notation for methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate?
The canonical SMILES for methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate is CCOc1ccc(N2CC(Oc3ccc(C(C)NC(=O)OC)cc3)C2)cc1.
What is the InChIKey of methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate?
The InChIKey is WXTZKTRXTALJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-26-18-11-7-17(8-12-18)23-13-20(14-23)27-19-9-5-16(6-10-19)15(2)22-21(24)25-3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate?
methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate is sourced from PubChem (CID 78136916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).