2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide

C15H19N5O4 — CID 17066757

IUPAC2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNCCCn1ccnc1
InChIInChI=1S/C15H19N5O4/c1-24-14-4-3-12(20(22)23)9-13(14)18-15(21)10-16-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3,(H,18,21)
InChIKeyAUFQOCNKLKJSQG-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.42
Rot. Bonds9

About 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 17066757) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID17066757
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNCCCn1ccnc1
InChIInChI=1S/C15H19N5O4/c1-24-14-4-3-12(20(22)23)9-13(14)18-15(21)10-16-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3,(H,18,21)
InChIKeyAUFQOCNKLKJSQG-UHFFFAOYSA-N
XLogP1.42
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(2-methoxy-5-nitrophenyl)urea
CID 94102406
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 66536367
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
CID 121114108
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
N-(2-methoxy-5-nitrophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468662

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 17066757) is 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNCCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is AUFQOCNKLKJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-24-14-4-3-12(20(22)23)9-13(14)18-15(21)10-16-5-2-7-19-8-6-17-11-19/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3,(H,18,21).
What are the key properties of 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 17066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).