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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Related Compounds

g-Aminobutyrylhistamine
CID 129783465
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclopropanecarboxamide
CID 60312126
2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide
CID 86798642
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
1-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 91832182
(3S)-N-methyl-3-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]butanamide
CID 99944463
2,3-dimethyl-N-[2-(3-methylimidazol-4-yl)ethyl]butanamide
CID 121515344
(2S)-2-[(3-ethylimidazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 132308594
(4S)-1-cyclopropyl-4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
CID 164635297
N-[2-[1-(2-fluoropropyl)imidazol-4-yl]ethyl]-2-methylpropanamide
CID 58213383
N-[2-fluoro-1-(3-methylimidazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 169873624
3-Alanylhistamine
CID 129691542

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).