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

C15H23N3O — CID 62639474

IUPAC2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-12(16-2)15(19)17-14-7-5-13(6-8-14)11-18-9-3-4-10-18/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyZFRMMZCHUJECDT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds5

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

2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 62639474) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID62639474
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-12(16-2)15(19)17-14-7-5-13(6-8-14)11-18-9-3-4-10-18/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyZFRMMZCHUJECDT-UHFFFAOYSA-N
XLogP1.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
CID 75462890
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62836738
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 62639474) is 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is CNC(C)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is ZFRMMZCHUJECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(16-2)15(19)17-14-7-5-13(6-8-14)11-18-9-3-4-10-18/h5-8,12,16H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 62639474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).