N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide

C19H22N2O5 — CID 44764822

IUPACN-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCCOc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N2O5/c1-2-12-25-17-9-7-15(8-10-17)19(22)20-11-4-13-26-18-6-3-5-16(14-18)21(23)24/h3,5-10,14H,2,4,11-13H2,1H3,(H,20,22)
InChIKeyWXYPBNMNJMZBRT-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.58
Rot. Bonds10

About N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide

N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide (PubChem CID 44764822) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide
PubChem CID44764822
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCCOc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N2O5/c1-2-12-25-17-9-7-15(8-10-17)19(22)20-11-4-13-26-18-6-3-5-16(14-18)21(23)24/h3,5-10,14H,2,4,11-13H2,1H3,(H,20,22)
InChIKeyWXYPBNMNJMZBRT-UHFFFAOYSA-N
XLogP3.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.58
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'}

Analyze N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-N-[(4-propoxyphenyl)methyl]benzamide
CID 71822488
methyl 4-[3-[(4-nitrobenzoyl)amino]propoxy]benzoate
CID 142721853
N-butyl-4-propoxybenzamide
CID 17142951
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
4-[2-(3-nitrophenoxy)ethoxy]benzoic acid
CID 20991529
(3-nitrophenyl) 4-hexoxybenzoate
CID 23011425
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
1-nitro-3-octoxybenzene
CID 3442932
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide (CID 44764822) is N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCCOc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide?
The InChIKey is WXYPBNMNJMZBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-12-25-17-9-7-15(8-10-17)19(22)20-11-4-13-26-18-6-3-5-16(14-18)21(23)24/h3,5-10,14H,2,4,11-13H2,1H3,(H,20,22).
What are the key properties of N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide?
N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide has a molecular weight of 358.39 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide is sourced from PubChem (CID 44764822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).