N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide

C18H21N3O3 — CID 96550277

IUPACN-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
SMILESCc1cccnc1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C18H21N3O3/c1-12(2)17(18-13(3)7-6-10-19-18)20-16(22)11-14-8-4-5-9-15(14)21(23)24/h4-10,12,17H,11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyZDOVPKNETWQFJK-QGZVFWFLSA-N
MW327.38 g/mol
LogP3.35
Rot. Bonds6

About N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide

N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide (PubChem CID 96550277) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
PubChem CID96550277
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
SMILESCc1cccnc1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C18H21N3O3/c1-12(2)17(18-13(3)7-6-10-19-18)20-16(22)11-14-8-4-5-9-15(14)21(23)24/h4-10,12,17H,11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyZDOVPKNETWQFJK-QGZVFWFLSA-N
XLogP3.35
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.35
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-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65192594
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414422
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 2225443
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide (CID 96550277) is N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide is Cc1cccnc1[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is ZDOVPKNETWQFJK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)17(18-13(3)7-6-10-19-18)20-16(22)11-14-8-4-5-9-15(14)21(23)24/h4-10,12,17H,11H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide?
N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 96550277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).