N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide

C14H20N2O4 — CID 84552740

IUPACN-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide
SMILESCC(C)CNC(=O)CCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-11(2)10-15-14(17)8-5-9-20-13-7-4-3-6-12(13)16(18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,17)
InChIKeyQQILLKIWMBVRSO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.53
Rot. Bonds8

About N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide

N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide (PubChem CID 84552740) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide
PubChem CID84552740
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide
SMILESCC(C)CNC(=O)CCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-11(2)10-15-14(17)8-5-9-20-13-7-4-3-6-12(13)16(18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,17)
InChIKeyQQILLKIWMBVRSO-UHFFFAOYSA-N
XLogP2.53
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-acetamidoethyl)-4-(2-nitrophenoxy)butanamide
CID 84553535
N-[2-(dimethylamino)ethyl]-4-(2-nitrophenoxy)butanamide
CID 84553929
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2-nitrophenoxy)propanamide
CID 119526461
N-[4-(diethylamino)butyl]-4-(2-nitrophenoxy)butanamide
CID 84553927
N-(3-aminopropyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119407258
N-(2-methylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549591
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84561201
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide?
The IUPAC name of N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide (CID 84552740) is N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide?
The canonical SMILES for N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide is CC(C)CNC(=O)CCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide?
The InChIKey is QQILLKIWMBVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(2)10-15-14(17)8-5-9-20-13-7-4-3-6-12(13)16(18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide?
N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide has a molecular weight of 280.32 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide is sourced from PubChem (CID 84552740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).