N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide

C14H18N4O2 — CID 119871944

IUPACN-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-20-8-7-15-10-13(19)18-12-4-2-3-11(9-12)14-16-5-6-17-14/h2-6,9,15H,7-8,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGXMCEISHTAFNRQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.25
Rot. Bonds7

About N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide

N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119871944) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119871944
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-20-8-7-15-10-13(19)18-12-4-2-3-11(9-12)14-16-5-6-17-14/h2-6,9,15H,7-8,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGXMCEISHTAFNRQ-UHFFFAOYSA-N
XLogP1.25
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide (CID 119871944) is N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is GXMCEISHTAFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-8-7-15-10-13(19)18-12-4-2-3-11(9-12)14-16-5-6-17-14/h2-6,9,15H,7-8,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119871944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).