N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide

C21H26N2O5 — CID 4951338

IUPACN-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H26N2O5/c1-3-4-5-6-15-27-19-11-7-17(8-12-19)22-21(24)16(2)28-20-13-9-18(10-14-20)23(25)26/h7-14,16H,3-6,15H2,1-2H3,(H,22,24)
InChIKeyKRRNFYOFAWDPAO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.96
Rot. Bonds11

About N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide

N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 4951338) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID4951338
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H26N2O5/c1-3-4-5-6-15-27-19-11-7-17(8-12-19)22-21(24)16(2)28-20-13-9-18(10-14-20)23(25)26/h7-14,16H,3-6,15H2,1-2H3,(H,22,24)
InChIKeyKRRNFYOFAWDPAO-UHFFFAOYSA-N
XLogP4.96
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
propyl 4-[2-(4-nitrophenoxy)propanoylamino]benzoate
CID 4951235
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide (CID 4951338) is N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide is CCCCCCOc1ccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is KRRNFYOFAWDPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-3-4-5-6-15-27-19-11-7-17(8-12-19)22-21(24)16(2)28-20-13-9-18(10-14-20)23(25)26/h7-14,16H,3-6,15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide?
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide has a molecular weight of 386.45 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4951338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).