2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

C16H24N2O3 — CID 116677038

IUPAC2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)C2CNC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10(13-8-17-9-13)16(19)18-11(2)12-5-6-14(20-3)15(7-12)21-4/h5-7,10-11,13,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyQMFMTHOKJXAEEH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.74
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 116677038) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID116677038
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)C2CNC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10(13-8-17-9-13)16(19)18-11(2)12-5-6-14(20-3)15(7-12)21-4/h5-7,10-11,13,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyQMFMTHOKJXAEEH-UHFFFAOYSA-N
XLogP1.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487492
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 116677038) is 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)C(C)C2CNC2)cc1OC.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is QMFMTHOKJXAEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(13-8-17-9-13)16(19)18-11(2)12-5-6-14(20-3)15(7-12)21-4/h5-7,10-11,13,17H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 116677038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).