N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide

C21H25N3O5 — CID 60534764

IUPACN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C21H25N3O5/c1-4-17(16-10-6-8-12-19(16)29-14-21(26)23(2)3)22-20(25)13-15-9-5-7-11-18(15)24(27)28/h5-12,17H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyDHWWZUIRWVUJLR-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.87
Rot. Bonds9

About N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide (PubChem CID 60534764) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
PubChem CID60534764
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C21H25N3O5/c1-4-17(16-10-6-8-12-19(16)29-14-21(26)23(2)3)22-20(25)13-15-9-5-7-11-18(15)24(27)28/h5-12,17H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyDHWWZUIRWVUJLR-UHFFFAOYSA-N
XLogP2.87
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]acetamide
CID 55901043
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
CID 55902579
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 132653987
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
N,N-dimethyl-2-[2-[1-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]propyl]phenoxy]acetamide
CID 55902568
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55901941
(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55958606

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide (CID 60534764) is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide is CCC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is DHWWZUIRWVUJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-4-17(16-10-6-8-12-19(16)29-14-21(26)23(2)3)22-20(25)13-15-9-5-7-11-18(15)24(27)28/h5-12,17H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide?
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 60534764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).