N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide

C15H26N4O — CID 114721912

IUPACN-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide
SMILESCC(C)(C)NC(=O)CCn1cncc1C1(C)CCNC1
InChIInChI=1S/C15H26N4O/c1-14(2,3)18-13(20)5-8-19-11-17-9-12(19)15(4)6-7-16-10-15/h9,11,16H,5-8,10H2,1-4H3,(H,18,20)
InChIKeyYAFCZYBZTYSKSU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.44
Rot. Bonds4

About N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide

N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide (PubChem CID 114721912) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide
PubChem CID114721912
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide
SMILESCC(C)(C)NC(=O)CCn1cncc1C1(C)CCNC1
InChIInChI=1S/C15H26N4O/c1-14(2,3)18-13(20)5-8-19-11-17-9-12(19)15(4)6-7-16-10-15/h9,11,16H,5-8,10H2,1-4H3,(H,18,20)
InChIKeyYAFCZYBZTYSKSU-UHFFFAOYSA-N
XLogP1.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide (CID 114721912) is N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide is CC(C)(C)NC(=O)CCn1cncc1C1(C)CCNC1.
What is the InChIKey of N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide?
The InChIKey is YAFCZYBZTYSKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14(2,3)18-13(20)5-8-19-11-17-9-12(19)15(4)6-7-16-10-15/h9,11,16H,5-8,10H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide?
N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide is sourced from PubChem (CID 114721912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).