3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide

C17H28N2O3 — CID 82071626

IUPAC3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCc1cc(N)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-5-7-10-19(6-2)16(20)9-8-13-11-14(18)12-15(21-3)17(13)22-4/h11-12H,5-10,18H2,1-4H3
InChIKeyDGEQTIODCXNXAN-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.87
Rot. Bonds9

About 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide

3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide (PubChem CID 82071626) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide
PubChem CID82071626
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCc1cc(N)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-5-7-10-19(6-2)16(20)9-8-13-11-14(18)12-15(21-3)17(13)22-4/h11-12H,5-10,18H2,1-4H3
InChIKeyDGEQTIODCXNXAN-UHFFFAOYSA-N
XLogP2.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide
CID 82070904
3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 82071574
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
3-(5-amino-2,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 82183862
3-(5-amino-2,3-dimethoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071286
3-(5-amino-2-ethoxy-3-methoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071287
N-butyl-N-ethylpentanamide
CID 4629847
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610634
3-(5-amino-2,3-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071334
3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 82071577
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide?
The IUPAC name of 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide (CID 82071626) is 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide.
What is the SMILES notation for 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide?
The canonical SMILES for 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide is CCCCN(CC)C(=O)CCc1cc(N)cc(OC)c1OC.
What is the InChIKey of 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide?
The InChIKey is DGEQTIODCXNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-7-10-19(6-2)16(20)9-8-13-11-14(18)12-15(21-3)17(13)22-4/h11-12H,5-10,18H2,1-4H3.
What are the key properties of 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide?
3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide has a molecular weight of 308.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide is sourced from PubChem (CID 82071626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).