N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide

C16H24N2O6 — CID 91234929

IUPACN-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide
SMILESCOCCN(OC(C)(C)C)C(=O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O6/c1-16(2,3)24-17(10-12-22-4)15(19)9-11-23-14-7-5-13(6-8-14)18(20)21/h5-8H,9-12H2,1-4H3
InChIKeyNZIDJFFSQNGFIK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.57
Rot. Bonds9

About N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide

N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide (PubChem CID 91234929) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide
PubChem CID91234929
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC NameN-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide
SMILESCOCCN(OC(C)(C)C)C(=O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O6/c1-16(2,3)24-17(10-12-22-4)15(19)9-11-23-14-7-5-13(6-8-14)18(20)21/h5-8H,9-12H2,1-4H3
InChIKeyNZIDJFFSQNGFIK-UHFFFAOYSA-N
XLogP2.57
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-(4-nitrophenoxy)propanoate
CID 6993075
2-methyl-1-[methyl-[3-(4-nitrophenoxy)propyl]amino]propan-2-ol
CID 111336162
acetyl 3-(4-nitrophenoxy)propanoate
CID 174384250
1-nitro-4-[(1E,3E,5E)-6-(4-propoxyphenyl)hexa-1,3,5-trienyl]benzene
CID 139039273
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
2,2-dimethyl-6-(4-nitrophenoxy)hexanoic acid
CID 106714337
ethane;ethyl 4-(4-nitrophenoxy)butanoate
CID 144742944
1-methoxy-3-(4-nitrophenoxy)propan-2-one
CID 107508000
ethyl 2-amino-4-(4-nitrophenoxy)butanoate
CID 63039415
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide (CID 91234929) is N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide is COCCN(OC(C)(C)C)C(=O)CCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide?
The InChIKey is NZIDJFFSQNGFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-16(2,3)24-17(10-12-22-4)15(19)9-11-23-14-7-5-13(6-8-14)18(20)21/h5-8H,9-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide?
N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(2-methylpropan-2-yl)oxy]-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 91234929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).