3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide

C16H26N2O3 — CID 82070904

IUPAC3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide
SMILESCCOc1c(CCC(=O)N(CC)CC)cc(N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)15(19)9-8-12-10-13(17)11-14(20-4)16(12)21-7-3/h10-11H,5-9,17H2,1-4H3
InChIKeyGGIJLHFRDGMCGW-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.48
Rot. Bonds8

About 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide

3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide (PubChem CID 82070904) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide
PubChem CID82070904
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide
SMILESCCOc1c(CCC(=O)N(CC)CC)cc(N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)15(19)9-8-12-10-13(17)11-14(20-4)16(12)21-7-3/h10-11H,5-9,17H2,1-4H3
InChIKeyGGIJLHFRDGMCGW-UHFFFAOYSA-N
XLogP2.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.48
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-bis(2-hydroxyethyl)propanamide
CID 82071574
3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide
CID 82071626
3-(5-amino-2-ethoxy-3-methoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071287
4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline
CID 82071732
3-(5-amino-2,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 82183862
5-amino-2-ethoxy-3-methoxybenzenesulfonic acid
CID 139685877
3-(5-amino-2,3-dimethoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071286
3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 82071577
3,5-bis[2-[bromo(ethyl)amino]ethyl]-4-ethoxyaniline
CID 88781289
ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
CID 143526710
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55370350
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide?
The IUPAC name of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide (CID 82070904) is 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide?
The canonical SMILES for 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide is CCOc1c(CCC(=O)N(CC)CC)cc(N)cc1OC.
What is the InChIKey of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide?
The InChIKey is GGIJLHFRDGMCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-18(6-2)15(19)9-8-12-10-13(17)11-14(20-4)16(12)21-7-3/h10-11H,5-9,17H2,1-4H3.
What are the key properties of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide?
3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide is sourced from PubChem (CID 82070904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).