N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide

C17H27N3O2 — CID 110020180

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H27N3O2/c1-13(21)15-8-9-20(11-15)12-17(22)18-10-14-4-6-16(7-5-14)19(2)3/h4-7,13,15,21H,8-12H2,1-3H3,(H,18,22)
InChIKeyVJQKHNVUWCGPRI-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.07
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 110020180) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID110020180
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H27N3O2/c1-13(21)15-8-9-20(11-15)12-17(22)18-10-14-4-6-16(7-5-14)19(2)3/h4-7,13,15,21H,8-12H2,1-3H3,(H,18,22)
InChIKeyVJQKHNVUWCGPRI-UHFFFAOYSA-N
XLogP1.07
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972269
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 112628199
2-(4-amino-3-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 81451256
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 60509890
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
N-(1-ethylpiperidin-4-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019949

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 110020180) is N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is CC(O)C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is VJQKHNVUWCGPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(21)15-8-9-20(11-15)12-17(22)18-10-14-4-6-16(7-5-14)19(2)3/h4-7,13,15,21H,8-12H2,1-3H3,(H,18,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110020180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).