2-amino-N-(3-nitrophenyl)pentanamide

C11H15N3O3 — CID 113223757

IUPAC2-amino-N-(3-nitrophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-2-4-10(12)11(15)13-8-5-3-6-9(7-8)14(16)17/h3,5-7,10H,2,4,12H2,1H3,(H,13,15)
InChIKeyNNTQLCJBRUUOGU-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.66
Rot. Bonds5

About 2-amino-N-(3-nitrophenyl)pentanamide

2-amino-N-(3-nitrophenyl)pentanamide (PubChem CID 113223757) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-N-(3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-nitrophenyl)pentanamide
PubChem CID113223757
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-N-(3-nitrophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-2-4-10(12)11(15)13-8-5-3-6-9(7-8)14(16)17/h3,5-7,10H,2,4,12H2,1H3,(H,13,15)
InChIKeyNNTQLCJBRUUOGU-UHFFFAOYSA-N
XLogP1.66
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.66
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

2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
CID 81082319
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
propyl N-(3-nitrophenyl)carbamate
CID 522989
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596
2-(carbamoylamino)-3-methyl-N-(3-nitrophenyl)pentanamide
CID 78512638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-nitrophenyl)pentanamide?
The IUPAC name of 2-amino-N-(3-nitrophenyl)pentanamide (CID 113223757) is 2-amino-N-(3-nitrophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-nitrophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(3-nitrophenyl)pentanamide is CCCC(N)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(3-nitrophenyl)pentanamide?
The InChIKey is NNTQLCJBRUUOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-4-10(12)11(15)13-8-5-3-6-9(7-8)14(16)17/h3,5-7,10H,2,4,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(3-nitrophenyl)pentanamide?
2-amino-N-(3-nitrophenyl)pentanamide has a molecular weight of 237.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-nitrophenyl)pentanamide is sourced from PubChem (CID 113223757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).