2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

C18H28N2O — CID 44578263

IUPAC2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1
InChIInChI=1S/C18H28N2O/c1-13(2)17-8-6-5-7-15(17)12-20(18(21)14(3)4)16-9-10-19-11-16/h5-8,13-14,16,19H,9-12H2,1-4H3/t16-/m0/s1
InChIKeyXFORZXNXAQQOKS-INIZCTEOSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 44578263) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID44578263
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1
InChIInChI=1S/C18H28N2O/c1-13(2)17-8-6-5-7-15(17)12-20(18(21)14(3)4)16-9-10-19-11-16/h5-8,13-14,16,19H,9-12H2,1-4H3/t16-/m0/s1
InChIKeyXFORZXNXAQQOKS-INIZCTEOSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 44578263) is 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1.
What is the InChIKey of 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is XFORZXNXAQQOKS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)17-8-6-5-7-15(17)12-20(18(21)14(3)4)16-9-10-19-11-16/h5-8,13-14,16,19H,9-12H2,1-4H3/t16-/m0/s1.
What are the key properties of 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propan-2-ylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 44578263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).