3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide

C15H24N2O3 — CID 119267772

IUPAC3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCN)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-19-13-7-6-12(10-14(13)20-5-2)11(3)17-15(18)8-9-16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJJXUQGNYMFRMPO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.01
Rot. Bonds8

About 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide (PubChem CID 119267772) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
PubChem CID119267772
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCN)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-4-19-13-7-6-12(10-14(13)20-5-2)11(3)17-15(18)8-9-16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJJXUQGNYMFRMPO-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55787245
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9092058

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide (CID 119267772) is 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide is CCOc1ccc(C(C)NC(=O)CCN)cc1OCC.
What is the InChIKey of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide?
The InChIKey is JJXUQGNYMFRMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-19-13-7-6-12(10-14(13)20-5-2)11(3)17-15(18)8-9-16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide?
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide has a molecular weight of 280.37 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 119267772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).