N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide

C18H27N3O2 — CID 119550888

IUPACN-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)N(C)C1CCNC1
InChIInChI=1S/C18H27N3O2/c1-3-7-16(18(23)21(2)15-10-11-19-13-15)20-17(22)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,3,7,10-13H2,1-2H3,(H,20,22)
InChIKeyZIVUANKQWFKNHC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.33
Rot. Bonds7

About N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide

N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide (PubChem CID 119550888) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide.

Molecular Properties

Compound NameN-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
PubChem CID119550888
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)N(C)C1CCNC1
InChIInChI=1S/C18H27N3O2/c1-3-7-16(18(23)21(2)15-10-11-19-13-15)20-17(22)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,3,7,10-13H2,1-2H3,(H,20,22)
InChIKeyZIVUANKQWFKNHC-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide?
The IUPAC name of N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide (CID 119550888) is N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide.
What is the SMILES notation for N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide?
The canonical SMILES for N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide is CCCC(NC(=O)Cc1ccccc1)C(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide?
The InChIKey is ZIVUANKQWFKNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-7-16(18(23)21(2)15-10-11-19-13-15)20-17(22)12-14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,3,7,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide?
N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide has a molecular weight of 317.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide is sourced from PubChem (CID 119550888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).