2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide

C16H26N2O4 — CID 122152484

IUPAC2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(CCO)CCOCCO)c1
InChIInChI=1S/C16H26N2O4/c1-14-3-2-4-15(11-14)12-17-16(21)13-18(5-7-19)6-9-22-10-8-20/h2-4,11,19-20H,5-10,12-13H2,1H3,(H,17,21)
InChIKeyDGQSRJAFFGOIGP-UHFFFAOYSA-N
MW310.39 g/mol
LogP-0.09
Rot. Bonds11

About 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide

2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 122152484) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID122152484
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(CCO)CCOCCO)c1
InChIInChI=1S/C16H26N2O4/c1-14-3-2-4-15(11-14)12-17-16(21)13-18(5-7-19)6-9-22-10-8-20/h2-4,11,19-20H,5-10,12-13H2,1H3,(H,17,21)
InChIKeyDGQSRJAFFGOIGP-UHFFFAOYSA-N
XLogP-0.09
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111334191
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111488709
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium
CID 156664424
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide (CID 122152484) is 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(CCO)CCOCCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is DGQSRJAFFGOIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-14-3-2-4-15(11-14)12-17-16(21)13-18(5-7-19)6-9-22-10-8-20/h2-4,11,19-20H,5-10,12-13H2,1H3,(H,17,21).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 310.39 g/mol, XLogP of -0.09, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 122152484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).