2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide

C14H21N3O3 — CID 115573864

IUPAC2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C14H21N3O3/c1-9(2)8-15-14(18)11(4)16-13-6-5-12(17(19)20)7-10(13)3/h5-7,9,11,16H,8H2,1-4H3,(H,15,18)
InChIKeyULOJLCLWPUYKBF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.48
Rot. Bonds6

About 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide

2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide (PubChem CID 115573864) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide
PubChem CID115573864
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C14H21N3O3/c1-9(2)8-15-14(18)11(4)16-13-6-5-12(17(19)20)7-10(13)3/h5-7,9,11,16H,8H2,1-4H3,(H,15,18)
InChIKeyULOJLCLWPUYKBF-UHFFFAOYSA-N
XLogP2.48
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.48
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

N-(2-methoxyethyl)-2-(2-methyl-4-nitroanilino)propanamide
CID 115573862
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
2-(2-methyl-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 115571728
(2S)-2-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 61178947
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
3-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
2-(2-methyl-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115571726
2-(3-cyano-2-nitroanilino)-N-(2-methylpropyl)propanamide
CID 104718038
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
4-[1-(2-methyl-4-nitroanilino)ethyl]phenol
CID 43719950
N-hexan-2-yl-2-methyl-4-nitroaniline
CID 43785860

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide (CID 115573864) is 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is ULOJLCLWPUYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)8-15-14(18)11(4)16-13-6-5-12(17(19)20)7-10(13)3/h5-7,9,11,16H,8H2,1-4H3,(H,15,18).
What are the key properties of 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide?
2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitroanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115573864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).