2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C14H21N3O — CID 43704904

IUPAC2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-15-10-14(18)16-13-6-4-5-12(9-13)11-17-7-2-3-8-17/h4-6,9,15H,2-3,7-8,10-11H2,1H3,(H,16,18)
InChIKeyYNHFQFNPAMLYKG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.44
Rot. Bonds5

About 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 43704904) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID43704904
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCNCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-15-10-14(18)16-13-6-4-5-12(9-13)11-17-7-2-3-8-17/h4-6,9,15H,2-3,7-8,10-11H2,1H3,(H,16,18)
InChIKeyYNHFQFNPAMLYKG-UHFFFAOYSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 43704904) is 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CNCC(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is YNHFQFNPAMLYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-10-14(18)16-13-6-4-5-12(9-13)11-17-7-2-3-8-17/h4-6,9,15H,2-3,7-8,10-11H2,1H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 43704904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).