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

C19H22N2O5 — CID 17087091

IUPACN-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O5/c1-3-4-13-25-18-8-6-5-7-17(18)20-19(22)14(2)26-16-11-9-15(10-12-16)21(23)24/h5-12,14H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyOWWOKYVBCVBCGC-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.18
Rot. Bonds9

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

N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 17087091) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID17087091
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O5/c1-3-4-13-25-18-8-6-5-7-17(18)20-19(22)14(2)26-16-11-9-15(10-12-16)21(23)24/h5-12,14H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyOWWOKYVBCVBCGC-UHFFFAOYSA-N
XLogP4.18
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.18
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

N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 4951327
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
CID 17131474
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide (CID 17087091) is N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide is CCCCOc1ccccc1NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is OWWOKYVBCVBCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-4-13-25-18-8-6-5-7-17(18)20-19(22)14(2)26-16-11-9-15(10-12-16)21(23)24/h5-12,14H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide?
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide has a molecular weight of 358.39 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 17087091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).