2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide

C15H24N2O4 — CID 18870810

IUPAC2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCCO)CCCO)cc1
InChIInChI=1S/C15H24N2O4/c1-21-14-6-4-13(5-7-14)16-15(20)12-17(8-2-10-18)9-3-11-19/h4-7,18-19H,2-3,8-12H2,1H3,(H,16,20)
InChIKeyXWUHSBOEGAYSAY-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.70
Rot. Bonds10

About 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide

2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 18870810) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
PubChem CID18870810
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCCO)CCCO)cc1
InChIInChI=1S/C15H24N2O4/c1-21-14-6-4-13(5-7-14)16-15(20)12-17(8-2-10-18)9-3-11-19/h4-7,18-19H,2-3,8-12H2,1H3,(H,16,20)
InChIKeyXWUHSBOEGAYSAY-UHFFFAOYSA-N
XLogP0.70
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 111107285
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669592
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 37426429
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide (CID 18870810) is 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CCCO)CCCO)cc1.
What is the InChIKey of 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XWUHSBOEGAYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-21-14-6-4-13(5-7-14)16-15(20)12-17(8-2-10-18)9-3-11-19/h4-7,18-19H,2-3,8-12H2,1H3,(H,16,20).
What are the key properties of 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.70, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18870810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).