2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C19H29N3O2 — CID 55987630

IUPAC2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN1CCOCC1(C)C
InChIInChI=1S/C19H29N3O2/c1-15-12-16(21-8-4-5-9-21)6-7-17(15)20-18(23)13-22-10-11-24-14-19(22,2)3/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H,20,23)
InChIKeyNFRJBRWNJOBQBE-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.64
Rot. Bonds4

About 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55987630) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55987630
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN1CCOCC1(C)C
InChIInChI=1S/C19H29N3O2/c1-15-12-16(21-8-4-5-9-21)6-7-17(15)20-18(23)13-22-10-11-24-14-19(22,2)3/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H,20,23)
InChIKeyNFRJBRWNJOBQBE-UHFFFAOYSA-N
XLogP2.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)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

2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 110899279
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42155264
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570264
3-(2-hydroxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 46415307
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
N-(4-amino-2-methylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216439
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55870259

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 55987630) is 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCOCC1(C)C.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NFRJBRWNJOBQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-12-16(21-8-4-5-9-21)6-7-17(15)20-18(23)13-22-10-11-24-14-19(22,2)3/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H,20,23).
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55987630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).