N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide

C15H21N3O4 — CID 51108261

IUPACN-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-11-5-6-12(8-14(11)18(20)21)16-15(19)10-17(2)9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,19)
InChIKeyDDQTVRDFRDCIEC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.95
Rot. Bonds6

About N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide

N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 51108261) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID51108261
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-11-5-6-12(8-14(11)18(20)21)16-15(19)10-17(2)9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,19)
InChIKeyDDQTVRDFRDCIEC-UHFFFAOYSA-N
XLogP1.95
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.95
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-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825215
1-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60577323
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 9223762
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
4-methyl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 7225517
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
CID 99718437
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46594715
N-(3-methylphenyl)-2-[(4-nitrophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 17349606
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86825120
2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 8890661
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide (CID 51108261) is N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)CC2CCCO2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is DDQTVRDFRDCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-5-6-12(8-14(11)18(20)21)16-15(19)10-17(2)9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 51108261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).