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

C27H34N2O3 — CID 123211751

IUPACN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(C(=O)NC(C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)C1
InChIInChI=1S/C27H34N2O3/c1-18(28-27(30)22-13-26(14-22)31-2)20-5-7-21(8-6-20)23-15-29(16-23)24-9-11-25(12-10-24)32-17-19-3-4-19/h5-12,18-19,22-23,26H,3-4,13-17H2,1-2H3,(H,28,30)
InChIKeyIZUPEZHDSJHALM-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.68
Rot. Bonds9

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

N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide (PubChem CID 123211751) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
PubChem CID123211751
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC NameN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(C(=O)NC(C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)C1
InChIInChI=1S/C27H34N2O3/c1-18(28-27(30)22-13-26(14-22)31-2)20-5-7-21(8-6-20)23-15-29(16-23)24-9-11-25(12-10-24)32-17-19-3-4-19/h5-12,18-19,22-23,26H,3-4,13-17H2,1-2H3,(H,28,30)
InChIKeyIZUPEZHDSJHALM-UHFFFAOYSA-N
XLogP4.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.68
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]oxolane-3-carboxamide
CID 123577661
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 123749694
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123286247
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
CID 123659712
N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71620886
(3R)-3-amino-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopentane-1-carboxamide
CID 118473422
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
tert-butyl-[3-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethylcarbamoyl]cyclopentyl]carbamic acid
CID 118461334
(2S,4S)-4-acetamido-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 118473455
benzyl 4-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]-3-methylbutanoate
CID 158823697
methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
CID 78136916
1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
CID 144603263

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide (CID 123211751) is N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide is COC1CC(C(=O)NC(C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)C1.
What is the InChIKey of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
The InChIKey is IZUPEZHDSJHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-18(28-27(30)22-13-26(14-22)31-2)20-5-7-21(8-6-20)23-15-29(16-23)24-9-11-25(12-10-24)32-17-19-3-4-19/h5-12,18-19,22-23,26H,3-4,13-17H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide?
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.68, 9 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]-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 123211751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).