3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide

C19H22N2O4 — CID 110311190

IUPAC3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-14(16-5-9-18(25-2)10-6-16)13-19(22)20-12-11-15-3-7-17(8-4-15)21(23)24/h3-10,14H,11-13H2,1-2H3,(H,20,22)
InChIKeyATDFLEFLTDBDIF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.46
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide

3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide (PubChem CID 110311190) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
PubChem CID110311190
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-14(16-5-9-18(25-2)10-6-16)13-19(22)20-12-11-15-3-7-17(8-4-15)21(23)24/h3-10,14H,11-13H2,1-2H3,(H,20,22)
InChIKeyATDFLEFLTDBDIF-UHFFFAOYSA-N
XLogP3.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.46
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-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944222
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783
3-[3-(4-methoxyphenyl)propanoylamino]-3-(4-nitrophenyl)propanoic acid
CID 67673795
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
3-(aminomethyl)-N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 81087222
propan-2-yl N-[2-(4-nitrophenyl)ethyl]carbamate
CID 139655382

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide (CID 110311190) is 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide is COc1ccc(C(C)CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide?
The InChIKey is ATDFLEFLTDBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(16-5-9-18(25-2)10-6-16)13-19(22)20-12-11-15-3-7-17(8-4-15)21(23)24/h3-10,14H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide?
3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide has a molecular weight of 342.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide is sourced from PubChem (CID 110311190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).