2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide

C13H20N2O3 — CID 113468548

IUPAC2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
SMILESCCN(CCCO)C(=O)c1cccc(OC)c1N
InChIInChI=1S/C13H20N2O3/c1-3-15(8-5-9-16)13(17)10-6-4-7-11(18-2)12(10)14/h4,6-7,16H,3,5,8-9,14H2,1-2H3
InChIKeyRUQRGKHJXHELQO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds6

About 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide

2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide (PubChem CID 113468548) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
PubChem CID113468548
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
SMILESCCN(CCCO)C(=O)c1cccc(OC)c1N
InChIInChI=1S/C13H20N2O3/c1-3-15(8-5-9-16)13(17)10-6-4-7-11(18-2)12(10)14/h4,6-7,16H,3,5,8-9,14H2,1-2H3
InChIKeyRUQRGKHJXHELQO-UHFFFAOYSA-N
XLogP1.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?
The IUPAC name of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide (CID 113468548) is 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?
The canonical SMILES for 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide is CCN(CCCO)C(=O)c1cccc(OC)c1N.
What is the InChIKey of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?
The InChIKey is RUQRGKHJXHELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-15(8-5-9-16)13(17)10-6-4-7-11(18-2)12(10)14/h4,6-7,16H,3,5,8-9,14H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide?
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide is sourced from PubChem (CID 113468548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).