N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide

C20H24N2O4 — CID 43907892

IUPACN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)12-18(15-8-10-17(26-3)11-9-15)21-20(23)13-16-6-4-5-7-19(16)22(24)25/h4-11,14,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyYLDYMDWHZVSPEU-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.05
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide

N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide (PubChem CID 43907892) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
PubChem CID43907892
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)12-18(15-8-10-17(26-3)11-9-15)21-20(23)13-16-6-4-5-7-19(16)22(24)25/h4-11,14,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyYLDYMDWHZVSPEU-UHFFFAOYSA-N
XLogP4.05
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
methyl (3S)-3-[[2-(2-nitrophenyl)acetyl]amino]-3-phenylpropanoate
CID 40856389
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 132653987
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 42997256
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92679063
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide (CID 43907892) is N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide is COc1ccc(C(CC(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is YLDYMDWHZVSPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)12-18(15-8-10-17(26-3)11-9-15)21-20(23)13-16-6-4-5-7-19(16)22(24)25/h4-11,14,18H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide?
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 43907892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).