2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide

C16H24N2O4 — CID 78854842

IUPAC2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NCCCO
InChIInChI=1S/C16H24N2O4/c1-2-22-14-8-4-3-7-13(14)16(21)18-10-5-9-15(20)17-11-6-12-19/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyMRCSHEQOEXJDLR-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.09
Rot. Bonds10

About 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide

2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide (PubChem CID 78854842) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
PubChem CID78854842
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NCCCO
InChIInChI=1S/C16H24N2O4/c1-2-22-14-8-4-3-7-13(14)16(21)18-10-5-9-15(20)17-11-6-12-19/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyMRCSHEQOEXJDLR-UHFFFAOYSA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.09
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

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CID 103919109
2-ethoxy-N-(2-hydroxyethyl)benzamide
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2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
N-(4-chlorobutyl)-2-ethoxybenzamide
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N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
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2-ethoxy-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767466
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
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2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
CID 119113379
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
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CID 87006201

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide (CID 78854842) is 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)NCCCO.
What is the InChIKey of 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide?
The InChIKey is MRCSHEQOEXJDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-22-14-8-4-3-7-13(14)16(21)18-10-5-9-15(20)17-11-6-12-19/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide?
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.09, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 78854842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).