3-amino-3-(2,4-dimethoxyphenyl)propanamide

C11H16N2O3 — CID 23366621

IUPAC3-amino-3-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(C(N)CC(N)=O)c(OC)c1
InChIInChI=1S/C11H16N2O3/c1-15-7-3-4-8(10(5-7)16-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFAOATCVVXGLDNF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-3-(2,4-dimethoxyphenyl)propanamide

3-amino-3-(2,4-dimethoxyphenyl)propanamide (PubChem CID 23366621) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-3-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2,4-dimethoxyphenyl)propanamide
PubChem CID23366621
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-3-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(C(N)CC(N)=O)c(OC)c1
InChIInChI=1S/C11H16N2O3/c1-15-7-3-4-8(10(5-7)16-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H2,13,14)
InChIKeyFAOATCVVXGLDNF-UHFFFAOYSA-N
XLogP0.58
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(2,4-dimethoxyphenyl)propanamide (CID 23366621) is 3-amino-3-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2,4-dimethoxyphenyl)propanamide is COc1ccc(C(N)CC(N)=O)c(OC)c1.
What is the InChIKey of 3-amino-3-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is FAOATCVVXGLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-7-3-4-8(10(5-7)16-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-3-(2,4-dimethoxyphenyl)propanamide?
3-amino-3-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 23366621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).