3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide

C15H23N3O4 — CID 33403782

IUPAC3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H23N3O4/c1-4-5-9-17(2)10-8-15(19)16-13-7-6-12(18(20)21)11-14(13)22-3/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,19)
InChIKeyQDMPKFOZILDZLF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds9

About 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide

3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 33403782) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID33403782
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H23N3O4/c1-4-5-9-17(2)10-8-15(19)16-13-7-6-12(18(20)21)11-14(13)22-3/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,19)
InChIKeyQDMPKFOZILDZLF-UHFFFAOYSA-N
XLogP2.66
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
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

N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
3-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 146143616
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-[(2-methoxy-4-nitrophenyl)carbamothioyl]tetradecanamide
CID 54791153
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852710
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
N-(2-bromo-4-nitrophenyl)-2-[butyl(methyl)amino]acetamide
CID 31477713

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide (CID 33403782) is 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide is CCCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is QDMPKFOZILDZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-5-9-17(2)10-8-15(19)16-13-7-6-12(18(20)21)11-14(13)22-3/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,19).
What are the key properties of 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide?
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 33403782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).