N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide

C16H24N2O2 — CID 142245443

IUPACN-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCCN2CCC(O)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-8-13(2)10-14(9-12)16(20)17-5-3-6-18-7-4-15(19)11-18/h8-10,15,19H,3-7,11H2,1-2H3,(H,17,20)
InChIKeyCMCYRIVLPFLDQB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.49
Rot. Bonds5

About N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide

N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide (PubChem CID 142245443) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
PubChem CID142245443
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCCN2CCC(O)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-8-13(2)10-14(9-12)16(20)17-5-3-6-18-7-4-15(19)11-18/h8-10,15,19H,3-7,11H2,1-2H3,(H,17,20)
InChIKeyCMCYRIVLPFLDQB-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 110878722
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
N-butyl-3,5-dimethylbenzamide
CID 17190927
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 126436627
2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
CID 66611497
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide (CID 142245443) is N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCCCN2CCC(O)C2)c1.
What is the InChIKey of N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide?
The InChIKey is CMCYRIVLPFLDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-8-13(2)10-14(9-12)16(20)17-5-3-6-18-7-4-15(19)11-18/h8-10,15,19H,3-7,11H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide?
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 142245443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).