3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide

C17H27N3O2 — CID 82070467

IUPAC3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCC(C)CNC(=O)c1ccc(OCCN2CCCC2)c(N)c1
InChIInChI=1S/C17H27N3O2/c1-13(2)12-19-17(21)14-5-6-16(15(18)11-14)22-10-9-20-7-3-4-8-20/h5-6,11,13H,3-4,7-10,12,18H2,1-2H3,(H,19,21)
InChIKeyQGLCCXAXVWDBCG-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.13
Rot. Bonds7

About 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide

3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 82070467) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID82070467
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCC(C)CNC(=O)c1ccc(OCCN2CCCC2)c(N)c1
InChIInChI=1S/C17H27N3O2/c1-13(2)12-19-17(21)14-5-6-16(15(18)11-14)22-10-9-20-7-3-4-8-20/h5-6,11,13H,3-4,7-10,12,18H2,1-2H3,(H,19,21)
InChIKeyQGLCCXAXVWDBCG-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide 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

3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 110496641
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
2-(4-fluorophenyl)-N-methyl-5-[5-(2-methylpropylcarbamoyl)-2-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 59275396
2-(4-fluorophenyl)-5-[[5-(2-methylpropylcarbamoyl)-2-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 91152519
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 82070467) is 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide is CC(C)CNC(=O)c1ccc(OCCN2CCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is QGLCCXAXVWDBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)12-19-17(21)14-5-6-16(15(18)11-14)22-10-9-20-7-3-4-8-20/h5-6,11,13H,3-4,7-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide?
3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 82070467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).