N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide

C15H22N2O4 — CID 24847620

IUPACN-(2-methoxy-3-nitrophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc([N+](=O)[O-])c1OC
InChIInChI=1S/C15H22N2O4/c1-4-7-11(8-5-2)15(18)16-12-9-6-10-13(17(19)20)14(12)21-3/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,18)
InChIKeyGRIQCISWVULAML-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.76
Rot. Bonds8

About N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide

N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide (PubChem CID 24847620) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-methoxy-3-nitrophenyl)-2-propylpentanamide
PubChem CID24847620
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(2-methoxy-3-nitrophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cccc([N+](=O)[O-])c1OC
InChIInChI=1S/C15H22N2O4/c1-4-7-11(8-5-2)15(18)16-12-9-6-10-13(17(19)20)14(12)21-3/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,18)
InChIKeyGRIQCISWVULAML-UHFFFAOYSA-N
XLogP3.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.76
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

2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 65225157
[2-[(2-methoxy-2-oxoacetyl)amino]-6-nitrophenyl] propanoate
CID 175282104
2-cyano-N-(2-methyl-3-nitrophenyl)pentanamide
CID 107810831
2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
CID 81082853
chloroform;methyl 3-[[3-[[2-hydroxy-3-[[2-methoxy-3-[(2-methoxy-3-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]-2-methoxybenzoyl]amino]-2-methoxybenzoate
CID 139183249
2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
CID 65225301
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide?
The IUPAC name of N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide (CID 24847620) is N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide?
The canonical SMILES for N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cccc([N+](=O)[O-])c1OC.
What is the InChIKey of N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide?
The InChIKey is GRIQCISWVULAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-7-11(8-5-2)15(18)16-12-9-6-10-13(17(19)20)14(12)21-3/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide?
N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide has a molecular weight of 294.35 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-nitrophenyl)-2-propylpentanamide is sourced from PubChem (CID 24847620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).