N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide

C16H24N2O — CID 97201640

IUPACN-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
SMILESCC(=O)NCCCN1CCC[C@H]1c1cccc(C)c1
InChIInChI=1S/C16H24N2O/c1-13-6-3-7-15(12-13)16-8-4-10-18(16)11-5-9-17-14(2)19/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,17,19)/t16-/m0/s1
InChIKeyXBZRJNKDEQYBMC-INIZCTEOSA-N
MW260.38 g/mol
LogP2.66
Rot. Bonds5

About N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide

N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide (PubChem CID 97201640) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
PubChem CID97201640
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
SMILESCC(=O)NCCCN1CCC[C@H]1c1cccc(C)c1
InChIInChI=1S/C16H24N2O/c1-13-6-3-7-15(12-13)16-8-4-10-18(16)11-5-9-17-14(2)19/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,17,19)/t16-/m0/s1
InChIKeyXBZRJNKDEQYBMC-INIZCTEOSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856
N-ethyl-N-methyl-3-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]propanamide
CID 97028192
N-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 47078002
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
N-[6-[2-(3-bromophenyl)pyrrolidin-1-yl]-6-oxohexyl]acetamide
CID 60536010
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide?
The IUPAC name of N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide (CID 97201640) is N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide?
The canonical SMILES for N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide is CC(=O)NCCCN1CCC[C@H]1c1cccc(C)c1.
What is the InChIKey of N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide?
The InChIKey is XBZRJNKDEQYBMC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-3-7-15(12-13)16-8-4-10-18(16)11-5-9-17-14(2)19/h3,6-7,12,16H,4-5,8-11H2,1-2H3,(H,17,19)/t16-/m0/s1.
What are the key properties of N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide?
N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide is sourced from PubChem (CID 97201640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).