(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide

C18H21N3O3 — CID 9274223

IUPAC(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H21N3O3/c1-12(2)16-9-4-5-10-17(16)20-18(22)13(3)19-14-7-6-8-15(11-14)21(23)24/h4-13,19H,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyZUAYBBSOKQLVBQ-CYBMUJFWSA-N
MW327.38 g/mol
LogP4.16
Rot. Bonds6

About (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 9274223) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID9274223
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H21N3O3/c1-12(2)16-9-4-5-10-17(16)20-18(22)13(3)19-14-7-6-8-15(11-14)21(23)24/h4-13,19H,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyZUAYBBSOKQLVBQ-CYBMUJFWSA-N
XLogP4.16
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.16
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

(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
CID 9345580
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
(2S)-2-(3-acetylanilino)-N-(2-chloro-5-nitrophenyl)propanamide
CID 25340293
(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
CID 7830357
(2S)-N-[(4-methylphenyl)methyl]-2-(3-nitroanilino)propanamide
CID 9274324
2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
CID 134032594
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(3-nitrophenyl)propanamide
CID 25473815

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 9274223) is (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is ZUAYBBSOKQLVBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)16-9-4-5-10-17(16)20-18(22)13(3)19-14-7-6-8-15(11-14)21(23)24/h4-13,19H,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9274223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).