2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C16H25N3O — CID 62836738

IUPAC2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-16(2,17-3)15(20)18-14-8-6-13(7-9-14)12-19-10-4-5-11-19/h6-9,17H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyLNBYWNWLANCFLR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 62836738) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID62836738
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-16(2,17-3)15(20)18-14-8-6-13(7-9-14)12-19-10-4-5-11-19/h6-9,17H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyLNBYWNWLANCFLR-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62847063
2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide
CID 925579
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-(4-acetamidophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835436
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 62836738) is 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is CNC(C)(C)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is LNBYWNWLANCFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,17-3)15(20)18-14-8-6-13(7-9-14)12-19-10-4-5-11-19/h6-9,17H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 62836738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).