2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide

C18H28N2O — CID 10062669

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCN2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)12-16-6-8-17(9-7-16)15(3)18(21)19-13-20-10-4-5-11-20/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeySZKQJEMPAIKPOZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide

2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide (PubChem CID 10062669) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
PubChem CID10062669
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCN2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)12-16-6-8-17(9-7-16)15(3)18(21)19-13-20-10-4-5-11-20/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeySZKQJEMPAIKPOZ-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
2-methyl-3-[4-[(2R)-1-oxo-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid
CID 11667656
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
CID 10270719
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide (CID 10062669) is 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide is CC(C)Cc1ccc(C(C)C(=O)NCN2CCCC2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide?
The InChIKey is SZKQJEMPAIKPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)12-16-6-8-17(9-7-16)15(3)18(21)19-13-20-10-4-5-11-20/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide?
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide is sourced from PubChem (CID 10062669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).