4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide

C13H19NO4 — CID 43391198

IUPAC4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(C)O)cc1OC
InChIInChI=1S/C13H19NO4/c1-4-18-11-6-5-10(7-12(11)17-3)13(16)14-8-9(2)15/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyTUTXDOYCCDRYQF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.20
Rot. Bonds6

About 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide

4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide (PubChem CID 43391198) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
PubChem CID43391198
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(C)O)cc1OC
InChIInChI=1S/C13H19NO4/c1-4-18-11-6-5-10(7-12(11)17-3)13(16)14-8-9(2)15/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyTUTXDOYCCDRYQF-UHFFFAOYSA-N
XLogP1.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
(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-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
CID 103770448
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide (CID 43391198) is 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide is CCOc1ccc(C(=O)NCC(C)O)cc1OC.
What is the InChIKey of 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
The InChIKey is TUTXDOYCCDRYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-11-6-5-10(7-12(11)17-3)13(16)14-8-9(2)15/h5-7,9,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide?
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide is sourced from PubChem (CID 43391198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).