2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide

C11H18N4O — CID 66134304

IUPAC2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
SMILESCCn1cncc1C(NCC1CC1)C(N)=O
InChIInChI=1S/C11H18N4O/c1-2-15-7-13-6-9(15)10(11(12)16)14-5-8-3-4-8/h6-8,10,14H,2-5H2,1H3,(H2,12,16)
InChIKeyFHOFSEZBIRGDAH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.43
Rot. Bonds6

About 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide

2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide (PubChem CID 66134304) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
PubChem CID66134304
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
SMILESCCn1cncc1C(NCC1CC1)C(N)=O
InChIInChI=1S/C11H18N4O/c1-2-15-7-13-6-9(15)10(11(12)16)14-5-8-3-4-8/h6-8,10,14H,2-5H2,1H3,(H2,12,16)
InChIKeyFHOFSEZBIRGDAH-UHFFFAOYSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide (CID 66134304) is 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide is CCn1cncc1C(NCC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide?
The InChIKey is FHOFSEZBIRGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-7-13-6-9(15)10(11(12)16)14-5-8-3-4-8/h6-8,10,14H,2-5H2,1H3,(H2,12,16).
What are the key properties of 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide?
2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide is sourced from PubChem (CID 66134304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).