N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide

C12H16N2O4 — CID 62332693

IUPACN-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCC(O)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O4/c1-9(15)8-13(2)12(16)7-10-3-5-11(6-4-10)14(17)18/h3-6,9,15H,7-8H2,1-2H3
InChIKeyRLNVNVKJDCVNRK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.98
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide

N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide (PubChem CID 62332693) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
PubChem CID62332693
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCC(O)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O4/c1-9(15)8-13(2)12(16)7-10-3-5-11(6-4-10)14(17)18/h3-6,9,15H,7-8H2,1-2H3
InChIKeyRLNVNVKJDCVNRK-UHFFFAOYSA-N
XLogP0.98
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 69063860
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 122144255
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
2-methyl-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]propanoic acid
CID 62819150
3-[ethyl-[2-(4-nitrophenyl)acetyl]amino]butanoic acid
CID 62821560
potassium 2-(4-nitrophenyl)acetate
CID 15261201
propan-2-yl 2-(4-nitrophenyl)acetate
CID 86145562
(2R)-2-hydroxy-4-methyl-1-(4-nitrophenyl)pentan-3-one
CID 130433876

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide (CID 62332693) is N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide is CC(O)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide?
The InChIKey is RLNVNVKJDCVNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9(15)8-13(2)12(16)7-10-3-5-11(6-4-10)14(17)18/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide?
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 62332693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).