2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide

C13H19NO4 — CID 60655994

IUPAC2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cccc(OC)c1O
InChIInChI=1S/C13H19NO4/c1-3-7-14(8-9-15)13(17)10-5-4-6-11(18-2)12(10)16/h4-6,15-16H,3,7-9H2,1-2H3
InChIKeyFAQFGNBMBGPDHK-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.25
Rot. Bonds6

About 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide

2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide (PubChem CID 60655994) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
PubChem CID60655994
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cccc(OC)c1O
InChIInChI=1S/C13H19NO4/c1-3-7-14(8-9-15)13(17)10-5-4-6-11(18-2)12(10)16/h4-6,15-16H,3,7-9H2,1-2H3
InChIKeyFAQFGNBMBGPDHK-UHFFFAOYSA-N
XLogP1.25
TPSA70.00 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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
N-cyclopropyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 43576768
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-3-methoxybenzamide
CID 107491724
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
CID 141355227
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
N-(2-bromoethyl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 80666480

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide (CID 60655994) is 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide is CCCN(CCO)C(=O)c1cccc(OC)c1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide?
The InChIKey is FAQFGNBMBGPDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-7-14(8-9-15)13(17)10-5-4-6-11(18-2)12(10)16/h4-6,15-16H,3,7-9H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide?
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 60655994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).