2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide

C14H22N2O3 — CID 106309850

IUPAC2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCCOCCO)cc1
InChIInChI=1S/C14H22N2O3/c1-12-3-5-13(6-4-12)16-14(18)11-15-7-2-9-19-10-8-17/h3-6,15,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyKJGFWHHQCPPDJE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.92
Rot. Bonds9

About 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide

2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide (PubChem CID 106309850) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
PubChem CID106309850
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCCOCCO)cc1
InChIInChI=1S/C14H22N2O3/c1-12-3-5-13(6-4-12)16-14(18)11-15-7-2-9-19-10-8-17/h3-6,15,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyKJGFWHHQCPPDJE-UHFFFAOYSA-N
XLogP0.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
CID 61171662
methyl 4-[[2-(2-hydroxyethylamino)acetyl]amino]benzoate
CID 82358503
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506
2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-[3-(cyclopropylmethoxy)propylamino]-N-phenylacetamide
CID 103603851
N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 79394044

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide (CID 106309850) is 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCCCOCCO)cc1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is KJGFWHHQCPPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-12-3-5-13(6-4-12)16-14(18)11-15-7-2-9-19-10-8-17/h3-6,15,17H,2,7-11H2,1H3,(H,16,18).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide?
2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 106309850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).