2-[1-(3-nitrophenyl)propylamino]propanamide

C12H17N3O3 — CID 43545307

IUPAC2-[1-(3-nitrophenyl)propylamino]propanamide
SMILESCCC(NC(C)C(N)=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-3-11(14-8(2)12(13)16)9-5-4-6-10(7-9)15(17)18/h4-8,11,14H,3H2,1-2H3,(H2,13,16)
InChIKeyMXUYCICGJIPUIP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-(3-nitrophenyl)propylamino]propanamide

2-[1-(3-nitrophenyl)propylamino]propanamide (PubChem CID 43545307) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(3-nitrophenyl)propylamino]propanamide.

Molecular Properties

Compound Name2-[1-(3-nitrophenyl)propylamino]propanamide
PubChem CID43545307
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(3-nitrophenyl)propylamino]propanamide
SMILESCCC(NC(C)C(N)=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-3-11(14-8(2)12(13)16)9-5-4-6-10(7-9)15(17)18/h4-8,11,14H,3H2,1-2H3,(H2,13,16)
InChIKeyMXUYCICGJIPUIP-UHFFFAOYSA-N
XLogP1.51
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
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-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
4-methyl-2-[1-(3-nitrophenyl)propylamino]pentan-1-ol
CID 61247431
N-[1-(3-nitrophenyl)propyl]pent-4-en-2-amine
CID 115890489
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
1-(3-nitrophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62841318
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
2-(3-nitrophenyl)pentanamide
CID 142403572
N-(2-methylpropoxy)-1-(3-nitrophenyl)propan-1-amine
CID 82709613
4-ethylsulfanyl-N-[1-(3-nitrophenyl)propyl]butan-2-amine
CID 115725515
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
5-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 107270181

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-nitrophenyl)propylamino]propanamide?
The IUPAC name of 2-[1-(3-nitrophenyl)propylamino]propanamide (CID 43545307) is 2-[1-(3-nitrophenyl)propylamino]propanamide.
What is the SMILES notation for 2-[1-(3-nitrophenyl)propylamino]propanamide?
The canonical SMILES for 2-[1-(3-nitrophenyl)propylamino]propanamide is CCC(NC(C)C(N)=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-(3-nitrophenyl)propylamino]propanamide?
The InChIKey is MXUYCICGJIPUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-11(14-8(2)12(13)16)9-5-4-6-10(7-9)15(17)18/h4-8,11,14H,3H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-(3-nitrophenyl)propylamino]propanamide?
2-[1-(3-nitrophenyl)propylamino]propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-nitrophenyl)propylamino]propanamide is sourced from PubChem (CID 43545307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).