3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide

C13H19N3O3 — CID 62853982

IUPAC3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
SMILESCCNCC(C)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-14-8-10(3)13(17)15-11-6-5-9(2)7-12(11)16(18)19/h5-7,10,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyDYPRJBUZPTYWSY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.09
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide

3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide (PubChem CID 62853982) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
PubChem CID62853982
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
SMILESCCNCC(C)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-4-14-8-10(3)13(17)15-11-6-5-9(2)7-12(11)16(18)19/h5-7,10,14H,4,8H2,1-3H3,(H,15,17)
InChIKeyDYPRJBUZPTYWSY-UHFFFAOYSA-N
XLogP2.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.09
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-methyl-N-[4-[[(2R)-2-methylbutanoyl]amino]-3-nitrophenyl]butanamide
CID 7233020
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 62837323
2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
CID 65225301
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19562131
2-methyl-N-(4-methyl-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19566686
3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide
CID 62727735
3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19564609
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
N-(4-bromo-2-nitrophenyl)-3-chloro-2-methylpropanamide
CID 55110433
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide (CID 62853982) is 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide is CCNCC(C)C(=O)Nc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide?
The InChIKey is DYPRJBUZPTYWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-14-8-10(3)13(17)15-11-6-5-9(2)7-12(11)16(18)19/h5-7,10,14H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide?
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide is sourced from PubChem (CID 62853982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).