2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide

C13H20N2O2 — CID 103820281

IUPAC2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCCCCO)c1
InChIInChI=1S/C13H20N2O2/c1-11-5-4-6-12(9-11)15-13(17)10-14-7-2-3-8-16/h4-6,9,14,16H,2-3,7-8,10H2,1H3,(H,15,17)
InChIKeyWJKZWTVQGNPRFQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds7

About 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide

2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide (PubChem CID 103820281) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
PubChem CID103820281
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCCCCO)c1
InChIInChI=1S/C13H20N2O2/c1-11-5-4-6-12(9-11)15-13(17)10-14-7-2-3-8-16/h4-6,9,14,16H,2-3,7-8,10H2,1H3,(H,15,17)
InChIKeyWJKZWTVQGNPRFQ-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide (CID 103820281) is 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNCCCCO)c1.
What is the InChIKey of 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide?
The InChIKey is WJKZWTVQGNPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-5-4-6-12(9-11)15-13(17)10-14-7-2-3-8-16/h4-6,9,14,16H,2-3,7-8,10H2,1H3,(H,15,17).
What are the key properties of 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide?
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 103820281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).