3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide

C15H24N2O5 — CID 82071577

IUPAC3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
SMILESCOc1cc(N)c(CCC(=O)N(CCO)CCO)cc1OC
InChIInChI=1S/C15H24N2O5/c1-21-13-9-11(12(16)10-14(13)22-2)3-4-15(20)17(5-7-18)6-8-19/h9-10,18-19H,3-8,16H2,1-2H3
InChIKeyLZHDOCSYPXBKHO-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.03
Rot. Bonds9

About 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide

3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide (PubChem CID 82071577) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
PubChem CID82071577
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
SMILESCOc1cc(N)c(CCC(=O)N(CCO)CCO)cc1OC
InChIInChI=1S/C15H24N2O5/c1-21-13-9-11(12(16)10-14(13)22-2)3-4-15(20)17(5-7-18)6-8-19/h9-10,18-19H,3-8,16H2,1-2H3
InChIKeyLZHDOCSYPXBKHO-UHFFFAOYSA-N
XLogP0.03
TPSA105.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide (CID 82071577) is 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide is COc1cc(N)c(CCC(=O)N(CCO)CCO)cc1OC.
What is the InChIKey of 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
The InChIKey is LZHDOCSYPXBKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-21-13-9-11(12(16)10-14(13)22-2)3-4-15(20)17(5-7-18)6-8-19/h9-10,18-19H,3-8,16H2,1-2H3.
What are the key properties of 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide?
3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide is sourced from PubChem (CID 82071577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).