N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide

C14H26N4O — CID 114708418

IUPACN-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
SMILESCNC(C)(C)c1cncn1CCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-13(2,3)17-12(19)7-8-18-10-16-9-11(18)14(4,5)15-6/h9-10,15H,7-8H2,1-6H3,(H,17,19)
InChIKeyMHHPEZHXFDFSFK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.64
Rot. Bonds5

About N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide

N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide (PubChem CID 114708418) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
PubChem CID114708418
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
SMILESCNC(C)(C)c1cncn1CCC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-13(2,3)17-12(19)7-8-18-10-16-9-11(18)14(4,5)15-6/h9-10,15H,7-8H2,1-6H3,(H,17,19)
InChIKeyMHHPEZHXFDFSFK-UHFFFAOYSA-N
XLogP1.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.64
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-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide (CID 114708418) is N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide is CNC(C)(C)c1cncn1CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide?
The InChIKey is MHHPEZHXFDFSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2,3)17-12(19)7-8-18-10-16-9-11(18)14(4,5)15-6/h9-10,15H,7-8H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide?
N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.64, 5 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-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide is sourced from PubChem (CID 114708418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).