N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride

C14H21ClN2O — CID 2902883

IUPACN-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCc1ccccc1NC(=O)CCN1CCCC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-12-6-2-3-7-13(12)15-14(17)8-11-16-9-4-5-10-16;/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17);1H
InChIKeyIMXNFDRHTCYUKR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.84
Rot. Bonds4

About N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride

N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride (PubChem CID 2902883) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
PubChem CID2902883
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCc1ccccc1NC(=O)CCN1CCCC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-12-6-2-3-7-13(12)15-14(17)8-11-16-9-4-5-10-16;/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17);1H
InChIKeyIMXNFDRHTCYUKR-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;oxalic acid
CID 171154477
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
CID 43252636
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136
3-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111496368
3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide
CID 111476833

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride (CID 2902883) is N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride is Cc1ccccc1NC(=O)CCN1CCCC1.Cl.
What is the InChIKey of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride?
The InChIKey is IMXNFDRHTCYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-12-6-2-3-7-13(12)15-14(17)8-11-16-9-4-5-10-16;/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17);1H.
What are the key properties of N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride?
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 2902883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).