N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide

C19H22N2O5 — CID 17079629

IUPACN-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
SMILESCC(C)COc1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H22N2O5/c1-13(2)12-25-18-6-4-5-15(11-18)20-19(22)14(3)26-17-9-7-16(8-10-17)21(23)24/h4-11,13-14H,12H2,1-3H3,(H,20,22)
InChIKeyHQAPIKCNPVCXGB-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.04
Rot. Bonds8

About N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide

N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide (PubChem CID 17079629) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
PubChem CID17079629
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
SMILESCC(C)COc1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H22N2O5/c1-13(2)12-25-18-6-4-5-15(11-18)20-19(22)14(3)26-17-9-7-16(8-10-17)21(23)24/h4-11,13-14H,12H2,1-3H3,(H,20,22)
InChIKeyHQAPIKCNPVCXGB-UHFFFAOYSA-N
XLogP4.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.04
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-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(E)-N-[3-(2-methylpropoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186957
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]propanamide
CID 17079595
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide (CID 17079629) is N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide is CC(C)COc1cccc(NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide?
The InChIKey is HQAPIKCNPVCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(2)12-25-18-6-4-5-15(11-18)20-19(22)14(3)26-17-9-7-16(8-10-17)21(23)24/h4-11,13-14H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide?
N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide has a molecular weight of 358.39 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 17079629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).