N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride

C16H25ClN2O2 — CID 120944761

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccccc1C(C)CC(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-5-3-4-6-14(11)12(2)7-16(20)18-9-13-8-17-10-15(13)19;/h3-6,12-13,15,17,19H,7-10H2,1-2H3,(H,18,20);1H
InChIKeySWXMZUWKTGZFNJ-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.61
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride (PubChem CID 120944761) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
PubChem CID120944761
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccccc1C(C)CC(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-5-3-4-6-14(11)12(2)7-16(20)18-9-13-8-17-10-15(13)19;/h3-6,12-13,15,17,19H,7-10H2,1-2H3,(H,18,20);1H
InChIKeySWXMZUWKTGZFNJ-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride (CID 120944761) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride is Cc1ccccc1C(C)CC(=O)NCC1CNCC1O.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride?
The InChIKey is SWXMZUWKTGZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-5-3-4-6-14(11)12(2)7-16(20)18-9-13-8-17-10-15(13)19;/h3-6,12-13,15,17,19H,7-10H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120944761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).