N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide

C17H27N3O — CID 79537724

IUPACN-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(C)CC1CCCN1
InChIInChI=1S/C17H27N3O/c1-13(11-16-8-6-10-18-16)19-17-9-5-4-7-15(17)12-20(3)14(2)21/h4-5,7,9,13,16,18-19H,6,8,10-12H2,1-3H3
InChIKeyAAIKBBASJOXQMU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide

N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide (PubChem CID 79537724) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
PubChem CID79537724
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(C)CC1CCCN1
InChIInChI=1S/C17H27N3O/c1-13(11-16-8-6-10-18-16)19-17-9-5-4-7-15(17)12-20(3)14(2)21/h4-5,7,9,13,16,18-19H,6,8,10-12H2,1-3H3
InChIKeyAAIKBBASJOXQMU-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]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-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
CID 79538032
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
2-N,2-N-dimethyl-3-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridine-2,3-diamine
CID 79541143
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide (CID 79537724) is N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NC(C)CC1CCCN1.
What is the InChIKey of N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide?
The InChIKey is AAIKBBASJOXQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(11-16-8-6-10-18-16)19-17-9-5-4-7-15(17)12-20(3)14(2)21/h4-5,7,9,13,16,18-19H,6,8,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide?
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 79537724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).