N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide

C18H20N2O4 — CID 2944222

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
SMILESCOc1ccc(CCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-13(15-5-7-16(8-6-15)20(22)23)18(21)19-12-11-14-3-9-17(24-2)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyXTDDBVPBZIATRR-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.07
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide (PubChem CID 2944222) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
PubChem CID2944222
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
SMILESCOc1ccc(CCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-13(15-5-7-16(8-6-15)20(22)23)18(21)19-12-11-14-3-9-17(24-2)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyXTDDBVPBZIATRR-UHFFFAOYSA-N
XLogP3.07
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.07
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

(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
CID 110311190
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309061
1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
CID 71751093
2-methyl-3-[2-(4-nitrophenyl)ethylamino]-3-oxopropanoic acid
CID 114898168
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
propan-2-yl N-[2-(4-nitrophenyl)ethyl]carbamate
CID 139655382
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide (CID 2944222) is N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide is COc1ccc(CCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide?
The InChIKey is XTDDBVPBZIATRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(15-5-7-16(8-6-15)20(22)23)18(21)19-12-11-14-3-9-17(24-2)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).