N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H21ClN2O — CID 119709536

IUPACN-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cccc(CNC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-4-2-5-12(8-11)10-16-14(17)9-13-6-3-7-15-13;/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17);1H
InChIKeySUNGUGAQQVFJKI-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.18
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119709536) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119709536
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cccc(CNC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11-4-2-5-12(8-11)10-16-14(17)9-13-6-3-7-15-13;/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17);1H
InChIKeySUNGUGAQQVFJKI-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862577
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119847394
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 62997538
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119709536) is N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1cccc(CNC(=O)CC2CCCN2)c1.Cl.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is SUNGUGAQQVFJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11-4-2-5-12(8-11)10-16-14(17)9-13-6-3-7-15-13;/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).