N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide

C16H24N2O — CID 115160298

IUPACN-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1ccc(N(C)C(=O)CC2CCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)14-4-6-15(7-5-14)18(3)16(19)10-13-8-9-17-11-13/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyVFSDKKKPPKIUTC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide

N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 115160298) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID115160298
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)c1ccc(N(C)C(=O)CC2CCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)14-4-6-15(7-5-14)18(3)16(19)10-13-8-9-17-11-13/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyVFSDKKKPPKIUTC-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160313
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide (CID 115160298) is N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide is CC(C)c1ccc(N(C)C(=O)CC2CCNC2)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is VFSDKKKPPKIUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-4-6-15(7-5-14)18(3)16(19)10-13-8-9-17-11-13/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide?
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 115160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).