N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide

C13H24N4O — CID 114167185

IUPACN,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
SMILESCCCn1cncc1CNCC(C)(C)C(=O)NC
InChIInChI=1S/C13H24N4O/c1-5-6-17-10-16-8-11(17)7-15-9-13(2,3)12(18)14-4/h8,10,15H,5-7,9H2,1-4H3,(H,14,18)
InChIKeyASVIEVXWSCABGZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds7

About N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide

N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide (PubChem CID 114167185) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
PubChem CID114167185
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
SMILESCCCn1cncc1CNCC(C)(C)C(=O)NC
InChIInChI=1S/C13H24N4O/c1-5-6-17-10-16-8-11(17)7-15-9-13(2,3)12(18)14-4/h8,10,15H,5-7,9H2,1-4H3,(H,14,18)
InChIKeyASVIEVXWSCABGZ-UHFFFAOYSA-N
XLogP1.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
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((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
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N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
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1-{2-[1-(Cyclopropylmethyl)-5-methyl-1H-imidazol-2-YL]ethyl}-3-propylurea
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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide (CID 114167185) is N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide is CCCn1cncc1CNCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide?
The InChIKey is ASVIEVXWSCABGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-17-10-16-8-11(17)7-15-9-13(2,3)12(18)14-4/h8,10,15H,5-7,9H2,1-4H3,(H,14,18).
What are the key properties of N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide?
N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 114167185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).