2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide

C14H22N2O3 — CID 43545329

IUPAC2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
SMILESCOc1ccc(CC(C)NC(C)C(N)=O)cc1OC
InChIInChI=1S/C14H22N2O3/c1-9(16-10(2)14(15)17)7-11-5-6-12(18-3)13(8-11)19-4/h5-6,8-10,16H,7H2,1-4H3,(H2,15,17)
InChIKeyRRFKTGPUGSPNOI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds7

About 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide

2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide (PubChem CID 43545329) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
PubChem CID43545329
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
SMILESCOc1ccc(CC(C)NC(C)C(N)=O)cc1OC
InChIInChI=1S/C14H22N2O3/c1-9(16-10(2)14(15)17)7-11-5-6-12(18-3)13(8-11)19-4/h5-6,8-10,16H,7H2,1-4H3,(H2,15,17)
InChIKeyRRFKTGPUGSPNOI-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
tert-butyl (2S)-2-[[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]pentanoate
CID 97308678
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
CID 65047306
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
CID 103785160
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide (CID 43545329) is 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide is COc1ccc(CC(C)NC(C)C(N)=O)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide?
The InChIKey is RRFKTGPUGSPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(16-10(2)14(15)17)7-11-5-6-12(18-3)13(8-11)19-4/h5-6,8-10,16H,7H2,1-4H3,(H2,15,17).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide?
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 43545329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).