N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide

C14H21N3O4 — CID 103840058

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide
SMILESCN(C)CC(C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O4/c1-14(19,10-16(2)3)9-15-13(18)8-11-5-4-6-12(7-11)17(20)21/h4-7,19H,8-10H2,1-3H3,(H,15,18)
InChIKeyCCNYFCVRJPGUTN-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.57
Rot. Bonds7

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide (PubChem CID 103840058) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide
PubChem CID103840058
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide
SMILESCN(C)CC(C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O4/c1-14(19,10-16(2)3)9-15-13(18)8-11-5-4-6-12(7-11)17(20)21/h4-7,19H,8-10H2,1-3H3,(H,15,18)
InChIKeyCCNYFCVRJPGUTN-UHFFFAOYSA-N
XLogP0.57
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
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-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-4-ylacetamide
CID 103960990
3-methyl-2-[[[2-(3-nitrophenyl)acetyl]amino]methyl]butanoic acid
CID 104540991
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-4-nitropyrrole-2-carboxamide
CID 106143234
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
N-(2-hydroxy-2-methylbutyl)-3-nitrobenzamide
CID 65114557
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 103841090

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide (CID 103840058) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide is CN(C)CC(C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is CCNYFCVRJPGUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(19,10-16(2)3)9-15-13(18)8-11-5-4-6-12(7-11)17(20)21/h4-7,19H,8-10H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 103840058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).