N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide

C22H28N2O2 — CID 42703557

IUPACN-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide
SMILESCCC(C)N(CCC(=O)N1CCCC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O2/c1-3-17(2)24(16-13-21(25)23-14-6-7-15-23)22(26)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12,17H,3,6-7,13-16H2,1-2H3
InChIKeyYESSACPKDDADLO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.09
Rot. Bonds6

About N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide

N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide (PubChem CID 42703557) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide
PubChem CID42703557
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide
SMILESCCC(C)N(CCC(=O)N1CCCC1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N2O2/c1-3-17(2)24(16-13-21(25)23-14-6-7-15-23)22(26)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12,17H,3,6-7,13-16H2,1-2H3
InChIKeyYESSACPKDDADLO-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide?
The IUPAC name of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide (CID 42703557) is N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide is CCC(C)N(CCC(=O)N1CCCC1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide?
The InChIKey is YESSACPKDDADLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-17(2)24(16-13-21(25)23-14-6-7-15-23)22(26)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12,17H,3,6-7,13-16H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide?
N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42703557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).