2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide

C14H22N2O4 — CID 115950552

IUPAC2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C14H22N2O4/c1-4-5-16(6-7-17)14(18)11-8-10(19-2)9-12(20-3)13(11)15/h8-9,17H,4-7,15H2,1-3H3
InChIKeyVHTSIZODJWVTLE-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.13
Rot. Bonds7

About 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide

2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide (PubChem CID 115950552) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
PubChem CID115950552
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C14H22N2O4/c1-4-5-16(6-7-17)14(18)11-8-10(19-2)9-12(20-3)13(11)15/h8-9,17H,4-7,15H2,1-3H3
InChIKeyVHTSIZODJWVTLE-UHFFFAOYSA-N
XLogP1.13
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 112606101
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 115950484
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
CID 82183920
2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 115950843
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
CID 81302007
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide (CID 115950552) is 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide is CCCN(CCO)C(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide?
The InChIKey is VHTSIZODJWVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-5-16(6-7-17)14(18)11-8-10(19-2)9-12(20-3)13(11)15/h8-9,17H,4-7,15H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide?
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide is sourced from PubChem (CID 115950552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).