N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide

C16H24N2O — CID 115160309

IUPACN-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCCCc1ccc(N(C)C(=O)CC2CCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-3-4-13-5-7-15(8-6-13)18(2)16(19)11-14-9-10-17-12-14/h5-8,14,17H,3-4,9-12H2,1-2H3
InChIKeyBMSWAVNUDYFNFY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide

N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 115160309) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID115160309
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCCCc1ccc(N(C)C(=O)CC2CCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-3-4-13-5-7-15(8-6-13)18(2)16(19)11-14-9-10-17-12-14/h5-8,14,17H,3-4,9-12H2,1-2H3
InChIKeyBMSWAVNUDYFNFY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 86814370
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160313
2-cyano-N-methyl-N-(4-propylphenyl)acetamide
CID 115172956
N-methyl-N-(4-propylphenyl)piperazine-1-carboxamide
CID 115171520
N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210731
1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583457
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
methyl-(4-propylphenyl)carbamic acid
CID 115170704

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide (CID 115160309) is N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide is CCCc1ccc(N(C)C(=O)CC2CCNC2)cc1.
What is the InChIKey of N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is BMSWAVNUDYFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-13-5-7-15(8-6-13)18(2)16(19)11-14-9-10-17-12-14/h5-8,14,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide?
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 115160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).