N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide

C16H23N3O4 — CID 86825215

IUPACN-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1CCCCO1
InChIInChI=1S/C16H23N3O4/c1-12-6-7-13(19(21)22)9-15(12)17-16(20)11-18(2)10-14-5-3-4-8-23-14/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,17,20)
InChIKeyNXZJIFRMPJMTNG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.34
Rot. Bonds6

About N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide

N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide (PubChem CID 86825215) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
PubChem CID86825215
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1CCCCO1
InChIInChI=1S/C16H23N3O4/c1-12-6-7-13(19(21)22)9-15(12)17-16(20)11-18(2)10-14-5-3-4-8-23-14/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,17,20)
InChIKeyNXZJIFRMPJMTNG-UHFFFAOYSA-N
XLogP2.34
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.34
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-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 51108261
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 27247904
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8712213
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86825120
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 31380171
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
CID 107745481
2-[methyl(oxan-2-ylmethyl)amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 86825172
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide (CID 86825215) is N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1CCCCO1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The InChIKey is NXZJIFRMPJMTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12-6-7-13(19(21)22)9-15(12)17-16(20)11-18(2)10-14-5-3-4-8-23-14/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 86825215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).