4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide

C10H18N4O2 — CID 103155624

IUPAC4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCn1ccnc1
InChIInChI=1S/C10H18N4O2/c1-16-9(7-11)6-10(15)13-3-5-14-4-2-12-8-14/h2,4,8-9H,3,5-7,11H2,1H3,(H,13,15)
InChIKeyDEACHQGNQCALTG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.64
Rot. Bonds7

About 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide

4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide (PubChem CID 103155624) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
PubChem CID103155624
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCCn1ccnc1
InChIInChI=1S/C10H18N4O2/c1-16-9(7-11)6-10(15)13-3-5-14-4-2-12-8-14/h2,4,8-9H,3,5-7,11H2,1H3,(H,13,15)
InChIKeyDEACHQGNQCALTG-UHFFFAOYSA-N
XLogP-0.64
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
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4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
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2-imidazol-1-ylethylurea
CID 61061185
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
(2S)-2-amino-N-[2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962087
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide (CID 103155624) is 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCCn1ccnc1.
What is the InChIKey of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide?
The InChIKey is DEACHQGNQCALTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-16-9(7-11)6-10(15)13-3-5-14-4-2-12-8-14/h2,4,8-9H,3,5-7,11H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide?
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide has a molecular weight of 226.28 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide is sourced from PubChem (CID 103155624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).