ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide

C25H40N2O — CID 167597146

IUPACethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
SMILESCC.CC.CC.Cc1ccc(CC(=O)NC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O.3C2H6/c1-15-7-9-16(10-8-15)13-19(22)20-17-11-12-21(14-17)18-5-3-2-4-6-18;3*1-2/h2-10,17H,11-14H2,1H3,(H,20,22);3*1-2H3
InChIKeyJFMNSHVLWNAGQS-UHFFFAOYSA-N
MW384.61 g/mol
LogP6.01
Rot. Bonds4

About ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide

ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide (PubChem CID 167597146) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
PubChem CID167597146
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Nameethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
SMILESCC.CC.CC.Cc1ccc(CC(=O)NC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O.3C2H6/c1-15-7-9-16(10-8-15)13-19(22)20-17-11-12-21(14-17)18-5-3-2-4-6-18;3*1-2/h2-10,17H,11-14H2,1H3,(H,20,22);3*1-2H3
InChIKeyJFMNSHVLWNAGQS-UHFFFAOYSA-N
XLogP6.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
2-methyl-1-[(4-methylphenyl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909703
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
(4-methylphenyl)-[4-[(1-phenylpyrrolidin-3-yl)amino]piperidin-1-yl]methanone
CID 131931128
N-benzyl-2-[[ethylamino-[[1-(4-methylphenyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 111923768
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide?
The IUPAC name of ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide (CID 167597146) is ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide?
The canonical SMILES for ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide is CC.CC.CC.Cc1ccc(CC(=O)NC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide?
The InChIKey is JFMNSHVLWNAGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.3C2H6/c1-15-7-9-16(10-8-15)13-19(22)20-17-11-12-21(14-17)18-5-3-2-4-6-18;3*1-2/h2-10,17H,11-14H2,1H3,(H,20,22);3*1-2H3.
What are the key properties of ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide?
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide has a molecular weight of 384.61 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 167597146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).