2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide

C16H25N3O2 — CID 106617904

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CCO)CC2CCCN2)c1
InChIInChI=1S/C16H25N3O2/c1-13-4-2-5-14(10-13)18-16(21)12-19(8-9-20)11-15-6-3-7-17-15/h2,4-5,10,15,17,20H,3,6-9,11-12H2,1H3,(H,18,21)
InChIKeyNGJGREFJGZSVAV-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 106617904) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
PubChem CID106617904
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CCO)CC2CCCN2)c1
InChIInChI=1S/C16H25N3O2/c1-13-4-2-5-14(10-13)18-16(21)12-19(8-9-20)11-15-6-3-7-17-15/h2,4-5,10,15,17,20H,3,6-9,11-12H2,1H3,(H,18,21)
InChIKeyNGJGREFJGZSVAV-UHFFFAOYSA-N
XLogP0.98
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(3-methylphenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273632
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
CID 106632733
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106618071
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide (CID 106617904) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(CCO)CC2CCCN2)c1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is NGJGREFJGZSVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-4-2-5-14(10-13)18-16(21)12-19(8-9-20)11-15-6-3-7-17-15/h2,4-5,10,15,17,20H,3,6-9,11-12H2,1H3,(H,18,21).
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 106617904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).