N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide

C18H26N2O4 — CID 122562793

IUPACN-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide
SMILESCOc1cccc(OC2CN(C(=O)NCCC3(O)CCCC3)C2)c1
InChIInChI=1S/C18H26N2O4/c1-23-14-5-4-6-15(11-14)24-16-12-20(13-16)17(21)19-10-9-18(22)7-2-3-8-18/h4-6,11,16,22H,2-3,7-10,12-13H2,1H3,(H,19,21)
InChIKeyJVUAQNSYTKZWQY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide

N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide (PubChem CID 122562793) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide
PubChem CID122562793
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide
SMILESCOc1cccc(OC2CN(C(=O)NCCC3(O)CCCC3)C2)c1
InChIInChI=1S/C18H26N2O4/c1-23-14-5-4-6-15(11-14)24-16-12-20(13-16)17(21)19-10-9-18(22)7-2-3-8-18/h4-6,11,16,22H,2-3,7-10,12-13H2,1H3,(H,19,21)
InChIKeyJVUAQNSYTKZWQY-UHFFFAOYSA-N
XLogP2.16
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
N-(2-methoxyethyl)-3-naphthalen-2-yloxyazetidine-1-carboxamide
CID 23558811
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
N-(2-hydroxyethyl)-3-naphthalen-2-yloxyazetidine-1-carboxamide
CID 23558804
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
CID 131890137
3-(3-bromophenoxy)-N-prop-2-ynylazetidine-1-carboxamide
CID 15053449
(3aR,4R,7R,7aS)-N-[3-(3-methoxyphenyl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 99107062
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122556550
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide (CID 122562793) is N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide is COc1cccc(OC2CN(C(=O)NCCC3(O)CCCC3)C2)c1.
What is the InChIKey of N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide?
The InChIKey is JVUAQNSYTKZWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-14-5-4-6-15(11-14)24-16-12-20(13-16)17(21)19-10-9-18(22)7-2-3-8-18/h4-6,11,16,22H,2-3,7-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide?
N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopentyl)ethyl]-3-(3-methoxyphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 122562793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).