(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide

C20H25N3O3 — CID 8894248

IUPAC(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide
SMILESCCC[C@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-4-8-15(3)21-19(16-9-6-5-7-10-16)20(24)22-17-12-11-14(2)13-18(17)23(25)26/h5-7,9-13,15,19,21H,4,8H2,1-3H3,(H,22,24)/t15-,19+/m0/s1
InChIKeyLFPFIMWZTKGTKF-HNAYVOBHSA-N
MW355.44 g/mol
LogP4.36
Rot. Bonds8

About (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide

(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide (PubChem CID 8894248) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide
PubChem CID8894248
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide
SMILESCCC[C@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-4-8-15(3)21-19(16-9-6-5-7-10-16)20(24)22-17-12-11-14(2)13-18(17)23(25)26/h5-7,9-13,15,19,21H,4,8H2,1-3H3,(H,22,24)/t15-,19+/m0/s1
InChIKeyLFPFIMWZTKGTKF-HNAYVOBHSA-N
XLogP4.36
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
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

(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 7594261
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172
2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
CID 65225301
[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7847991
2-methyl-3-[methyl-[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]amino]propanoic acid
CID 122120328
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982
[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 7775444
[2-(dimethylamino)-2-oxoethyl]-methyl-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium
CID 8712168
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 8766844
[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486666

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide (CID 8894248) is (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide is CCC[C@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide?
The InChIKey is LFPFIMWZTKGTKF-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-8-15(3)21-19(16-9-6-5-7-10-16)20(24)22-17-12-11-14(2)13-18(17)23(25)26/h5-7,9-13,15,19,21H,4,8H2,1-3H3,(H,22,24)/t15-,19+/m0/s1.
What are the key properties of (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide?
(2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide has a molecular weight of 355.44 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-2-nitrophenyl)-2-[[(2S)-pentan-2-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 8894248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).