2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide

C15H20N2O2 — CID 116675962

IUPAC2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(C)NC(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C15H20N2O2/c1-10(13-8-16-9-13)15(18)17-11(2)12-5-4-6-14(7-12)19-3/h4-7,11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyKVMUNBZWEYCGFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 116675962) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide
PubChem CID116675962
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(C)NC(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C15H20N2O2/c1-10(13-8-16-9-13)15(18)17-11(2)12-5-4-6-14(7-12)19-3/h4-7,11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyKVMUNBZWEYCGFM-UHFFFAOYSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 116678300
2-(azetidin-3-ylidene)-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116675993
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656407
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide (CID 116675962) is 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(C(C)NC(=O)C(C)=C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is KVMUNBZWEYCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(13-8-16-9-13)15(18)17-11(2)12-5-4-6-14(7-12)19-3/h4-7,11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[1-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 116675962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).