N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide

C15H24N2O4 — CID 64541242

IUPACN-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(N)C(C)O)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-4-20-13-7-6-11(8-14(13)21-5-2)15(19)17-9-12(16)10(3)18/h6-8,10,12,18H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyRXSQXTNQJTUFFJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.92
Rot. Bonds8

About N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide

N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide (PubChem CID 64541242) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
PubChem CID64541242
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(N)C(C)O)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-4-20-13-7-6-11(8-14(13)21-5-2)15(19)17-9-12(16)10(3)18/h6-8,10,12,18H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyRXSQXTNQJTUFFJ-UHFFFAOYSA-N
XLogP0.92
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-(2-cyanopropyl)-3,4-diethoxybenzamide
CID 62653111
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide (CID 64541242) is N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(N)C(C)O)cc1OCC.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide?
The InChIKey is RXSQXTNQJTUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-13-7-6-11(8-14(13)21-5-2)15(19)17-9-12(16)10(3)18/h6-8,10,12,18H,4-5,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide?
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide is sourced from PubChem (CID 64541242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).