N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide

C13H19NO4 — CID 61235842

IUPACN,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C13H19NO4/c1-18-10-11-2-4-12(5-3-11)13(17)14(6-8-15)7-9-16/h2-5,15-16H,6-10H2,1H3
InChIKeyVSEXWZQFKQRLIF-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.26
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide

N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide (PubChem CID 61235842) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
PubChem CID61235842
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCO)CCO)cc1
InChIInChI=1S/C13H19NO4/c1-18-10-11-2-4-12(5-3-11)13(17)14(6-8-15)7-9-16/h2-5,15-16H,6-10H2,1H3
InChIKeyVSEXWZQFKQRLIF-UHFFFAOYSA-N
XLogP0.26
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
CID 54916378
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 47110132
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide (CID 61235842) is N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N(CCO)CCO)cc1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide?
The InChIKey is VSEXWZQFKQRLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-18-10-11-2-4-12(5-3-11)13(17)14(6-8-15)7-9-16/h2-5,15-16H,6-10H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide?
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 61235842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).