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

C10H13N3O3 — CID 43424697

IUPAC3-amino-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCN
InChIInChI=1S/C10H13N3O3/c1-7-6-8(13(15)16)2-3-9(7)12-10(14)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,14)
InChIKeyAKXUJGVOBSNJOO-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.19
Rot. Bonds4

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

3-amino-N-(2-methyl-4-nitrophenyl)propanamide (PubChem CID 43424697) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-4-nitrophenyl)propanamide
PubChem CID43424697
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-amino-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCN
InChIInChI=1S/C10H13N3O3/c1-7-6-8(13(15)16)2-3-9(7)12-10(14)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,14)
InChIKeyAKXUJGVOBSNJOO-UHFFFAOYSA-N
XLogP1.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.19
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

5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064
2-(2-aminoethylsulfanyl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 134064971
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
benzhydryl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2940631
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
1-O-methyl 4-O-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 18085476
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-4-nitrophenyl)propanamide?
The IUPAC name of 3-amino-N-(2-methyl-4-nitrophenyl)propanamide (CID 43424697) is 3-amino-N-(2-methyl-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-4-nitrophenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-methyl-4-nitrophenyl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-methyl-4-nitrophenyl)propanamide?
The InChIKey is AKXUJGVOBSNJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-6-8(13(15)16)2-3-9(7)12-10(14)4-5-11/h2-3,6H,4-5,11H2,1H3,(H,12,14).
What are the key properties of 3-amino-N-(2-methyl-4-nitrophenyl)propanamide?
3-amino-N-(2-methyl-4-nitrophenyl)propanamide has a molecular weight of 223.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-4-nitrophenyl)propanamide is sourced from PubChem (CID 43424697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).