N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide

C13H22N4O — CID 79385761

IUPACN-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
SMILESCC(C)n1cncc1CNCCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-10(2)17-9-15-8-12(17)7-14-6-5-13(18)16-11-3-4-11/h8-11,14H,3-7H2,1-2H3,(H,16,18)
InChIKeyLDOCJHWJIZZCFA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds7

About N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide

N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide (PubChem CID 79385761) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
PubChem CID79385761
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
SMILESCC(C)n1cncc1CNCCC(=O)NC1CC1
InChIInChI=1S/C13H22N4O/c1-10(2)17-9-15-8-12(17)7-14-6-5-13(18)16-11-3-4-11/h8-11,14H,3-7H2,1-2H3,(H,16,18)
InChIKeyLDOCJHWJIZZCFA-UHFFFAOYSA-N
XLogP1.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide (CID 79385761) is N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide is CC(C)n1cncc1CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide?
The InChIKey is LDOCJHWJIZZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17-9-15-8-12(17)7-14-6-5-13(18)16-11-3-4-11/h8-11,14H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide?
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 79385761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).