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

C10H18N4O2 — CID 62476777

IUPAC2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCn1ccnc1
InChIInChI=1S/C10H18N4O2/c1-16-7-2-9(11)10(15)13-4-6-14-5-3-12-8-14/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,13,15)
InChIKeyAMRBROHADNFXSH-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.64
Rot. Bonds7

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

2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide (PubChem CID 62476777) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
PubChem CID62476777
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCn1ccnc1
InChIInChI=1S/C10H18N4O2/c1-16-7-2-9(11)10(15)13-4-6-14-5-3-12-8-14/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,13,15)
InChIKeyAMRBROHADNFXSH-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

methyl 2-amino-4-imidazol-1-ylbutanoate
CID 63041628
2-(2-imidazol-1-ylethylcarbamoylamino)-4-methoxybutanoic acid
CID 62480791
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-imidazol-1-ylethylurea
CID 61061185
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide (CID 62476777) is 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide is COCCC(N)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide?
The InChIKey is AMRBROHADNFXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-16-7-2-9(11)10(15)13-4-6-14-5-3-12-8-14/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide?
2-amino-N-(2-imidazol-1-ylethyl)-4-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 2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide is sourced from PubChem (CID 62476777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).