3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide

C16H26N2O5 — CID 82071574

IUPAC3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
SMILESCCOc1c(CCC(=O)N(CCO)CCO)cc(N)cc1OC
InChIInChI=1S/C16H26N2O5/c1-3-23-16-12(10-13(17)11-14(16)22-2)4-5-15(21)18(6-8-19)7-9-20/h10-11,19-20H,3-9,17H2,1-2H3
InChIKeyAVQZRSUFQZQHBD-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.42
Rot. Bonds10

About 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide

3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide (PubChem CID 82071574) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
PubChem CID82071574
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
SMILESCCOc1c(CCC(=O)N(CCO)CCO)cc(N)cc1OC
InChIInChI=1S/C16H26N2O5/c1-3-23-16-12(10-13(17)11-14(16)22-2)4-5-15(21)18(6-8-19)7-9-20/h10-11,19-20H,3-9,17H2,1-2H3
InChIKeyAVQZRSUFQZQHBD-UHFFFAOYSA-N
XLogP0.42
TPSA105.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide
CID 82070904
3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide
CID 82071626
3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 82071577
3-(5-amino-2-ethoxy-3-methoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071287
3-(5-amino-2,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 82183862
5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
CID 82183920
4-ethoxy-3-methoxy-5-[3-(N-methylanilino)propyl]aniline
CID 82071732
5-amino-2-ethoxy-3-methoxybenzenesulfonic acid
CID 139685877
3-(5-amino-2,3-dimethoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071286
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070927

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide (CID 82071574) is 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide is CCOc1c(CCC(=O)N(CCO)CCO)cc(N)cc1OC.
What is the InChIKey of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The InChIKey is AVQZRSUFQZQHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-3-23-16-12(10-13(17)11-14(16)22-2)4-5-15(21)18(6-8-19)7-9-20/h10-11,19-20H,3-9,17H2,1-2H3.
What are the key properties of 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide has a molecular weight of 326.39 g/mol, XLogP of 0.42, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide is sourced from PubChem (CID 82071574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).