N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide

C15H27N3O2 — CID 99840158

IUPACN-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC1(C)CCCN1C(=O)NCCCNC(=O)C1CCC1
InChIInChI=1S/C15H27N3O2/c1-15(2)8-4-11-18(15)14(20)17-10-5-9-16-13(19)12-6-3-7-12/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWRSCTJKJJXKARJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.88
Rot. Bonds5

About N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide

N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 99840158) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID99840158
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCC1(C)CCCN1C(=O)NCCCNC(=O)C1CCC1
InChIInChI=1S/C15H27N3O2/c1-15(2)8-4-11-18(15)14(20)17-10-5-9-16-13(19)12-6-3-7-12/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWRSCTJKJJXKARJ-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide (CID 99840158) is N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide is CC1(C)CCCN1C(=O)NCCCNC(=O)C1CCC1.
What is the InChIKey of N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is WRSCTJKJJXKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2)8-4-11-18(15)14(20)17-10-5-9-16-13(19)12-6-3-7-12/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide?
N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutanecarbonylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 99840158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).