2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide

C10H18N4O2 — CID 65232146

IUPAC2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H18N4O2/c1-16-5-3-9(11)10(15)13-4-2-8-6-12-7-14-8/h6-7,9H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyVURASKGYMPDVPU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.57
Rot. Bonds7

About 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide

2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide (PubChem CID 65232146) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
PubChem CID65232146
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H18N4O2/c1-16-5-3-9(11)10(15)13-4-2-8-6-12-7-14-8/h6-7,9H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyVURASKGYMPDVPU-UHFFFAOYSA-N
XLogP-0.57
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104563198
2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 55080724
2-carbamothioyl-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 65231137
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide (CID 65232146) is 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide?
The InChIKey is VURASKGYMPDVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-16-5-3-9(11)10(15)13-4-2-8-6-12-7-14-8/h6-7,9H,2-5,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide?
2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide has a molecular weight of 226.28 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 65232146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).