2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide

C17H27N3O — CID 79537703

IUPAC2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
SMILESCC(CC1CCCN1)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-12(2)17(21)20-15-8-6-14(7-9-15)19-13(3)11-16-5-4-10-18-16/h6-9,12-13,16,18-19H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyLHMCKEVGTYWGPG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.22
Rot. Bonds6

About 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide

2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide (PubChem CID 79537703) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
PubChem CID79537703
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
SMILESCC(CC1CCCN1)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-12(2)17(21)20-15-8-6-14(7-9-15)19-13(3)11-16-5-4-10-18-16/h6-9,12-13,16,18-19H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyLHMCKEVGTYWGPG-UHFFFAOYSA-N
XLogP3.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
CID 79538614
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide (CID 79537703) is 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide is CC(CC1CCCN1)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide?
The InChIKey is LHMCKEVGTYWGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)17(21)20-15-8-6-14(7-9-15)19-13(3)11-16-5-4-10-18-16/h6-9,12-13,16,18-19H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide?
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 79537703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).