N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide

C26H32N2O3 — CID 123577661

IUPACN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C26H32N2O3/c1-18(27-26(29)22-12-13-30-17-22)20-4-6-21(7-5-20)23-14-28(15-23)24-8-10-25(11-9-24)31-16-19-2-3-19/h4-11,18-19,22-23H,2-3,12-17H2,1H3,(H,27,29)
InChIKeyGUDYYVWSLLHNDB-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.29
Rot. Bonds8

About N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide

N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 123577661) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide
PubChem CID123577661
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C26H32N2O3/c1-18(27-26(29)22-12-13-30-17-22)20-4-6-21(7-5-20)23-14-28(15-23)24-8-10-25(11-9-24)31-16-19-2-3-19/h4-11,18-19,22-23H,2-3,12-17H2,1H3,(H,27,29)
InChIKeyGUDYYVWSLLHNDB-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123211751
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 123749694
N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71620886
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
CID 123659712
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
(3R)-3-amino-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopentane-1-carboxamide
CID 118473422
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
tert-butyl-[3-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethylcarbamoyl]cyclopentyl]carbamic acid
CID 118461334
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
benzyl 4-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]-3-methylbutanoate
CID 158823697
(2S,4S)-4-acetamido-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 118473455
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide (CID 123577661) is N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide is CC(NC(=O)C1CCOC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is GUDYYVWSLLHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-18(27-26(29)22-12-13-30-17-22)20-4-6-21(7-5-20)23-14-28(15-23)24-8-10-25(11-9-24)31-16-19-2-3-19/h4-11,18-19,22-23H,2-3,12-17H2,1H3,(H,27,29).
What are the key properties of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide?
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 123577661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).