3-(methylamino)-N-(3-nitrophenyl)propanamide

C10H13N3O3 — CID 60716317

IUPAC3-(methylamino)-N-(3-nitrophenyl)propanamide
SMILESCNCCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c1-11-6-5-10(14)12-8-3-2-4-9(7-8)13(15)16/h2-4,7,11H,5-6H2,1H3,(H,12,14)
InChIKeyWWCVATALFJSXTG-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.14
Rot. Bonds5

About 3-(methylamino)-N-(3-nitrophenyl)propanamide

3-(methylamino)-N-(3-nitrophenyl)propanamide (PubChem CID 60716317) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(methylamino)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(3-nitrophenyl)propanamide
PubChem CID60716317
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(methylamino)-N-(3-nitrophenyl)propanamide
SMILESCNCCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c1-11-6-5-10(14)12-8-3-2-4-9(7-8)13(15)16/h2-4,7,11H,5-6H2,1H3,(H,12,14)
InChIKeyWWCVATALFJSXTG-UHFFFAOYSA-N
XLogP1.14
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.14
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

4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
3-[(4-bromophenyl)carbamoylamino]-N-(3-nitrophenyl)propanamide
CID 55773716
potassium trifluoro-[3-(3-nitroanilino)-3-oxopropyl]boranuide
CID 171150748
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621
2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid
CID 3821512
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
2-azido-N-(3-nitrophenyl)acetamide
CID 98880869

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-(methylamino)-N-(3-nitrophenyl)propanamide (CID 60716317) is 3-(methylamino)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(3-nitrophenyl)propanamide is CNCCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(methylamino)-N-(3-nitrophenyl)propanamide?
The InChIKey is WWCVATALFJSXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-6-5-10(14)12-8-3-2-4-9(7-8)13(15)16/h2-4,7,11H,5-6H2,1H3,(H,12,14).
What are the key properties of 3-(methylamino)-N-(3-nitrophenyl)propanamide?
3-(methylamino)-N-(3-nitrophenyl)propanamide has a molecular weight of 223.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 60716317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).