2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C16H25N3O2 — CID 31994583

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCN(CCO)CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-18(11-12-20)13-16(21)17-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,20H,2-4,9-13H2,1H3,(H,17,21)
InChIKeyBCKDZILSLRKKBR-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.54
Rot. Bonds7

About 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 31994583) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID31994583
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCN(CCO)CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-18(11-12-20)13-16(21)17-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,20H,2-4,9-13H2,1H3,(H,17,21)
InChIKeyBCKDZILSLRKKBR-UHFFFAOYSA-N
XLogP1.54
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496595
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52682345
2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52690468
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
5-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 79199227

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 31994583) is 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCN(CCO)CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BCKDZILSLRKKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18(11-12-20)13-16(21)17-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,20H,2-4,9-13H2,1H3,(H,17,21).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 31994583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).