N-[2-(ethylamino)-5-nitrophenyl]propanamide

C11H15N3O3 — CID 71408638

IUPACN-[2-(ethylamino)-5-nitrophenyl]propanamide
SMILESCCNc1ccc([N+](=O)[O-])cc1NC(=O)CC
InChIInChI=1S/C11H15N3O3/c1-3-11(15)13-10-7-8(14(16)17)5-6-9(10)12-4-2/h5-7,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyTUEHMRZNPBWKLB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(ethylamino)-5-nitrophenyl]propanamide

N-[2-(ethylamino)-5-nitrophenyl]propanamide (PubChem CID 71408638) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(ethylamino)-5-nitrophenyl]propanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-5-nitrophenyl]propanamide
PubChem CID71408638
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-(ethylamino)-5-nitrophenyl]propanamide
SMILESCCNc1ccc([N+](=O)[O-])cc1NC(=O)CC
InChIInChI=1S/C11H15N3O3/c1-3-11(15)13-10-7-8(14(16)17)5-6-9(10)12-4-2/h5-7,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyTUEHMRZNPBWKLB-UHFFFAOYSA-N
XLogP2.38
TPSA84.27 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 ≤ 52.38
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-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
1-[2-(ethylamino)-4-nitrophenyl]propan-1-one
CID 174545014
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
2-(ethylamino)-4-nitrobenzenesulfonic acid
CID 14833051
N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide
CID 54398784
ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
CID 71902522
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-5-nitrophenyl]propanamide?
The IUPAC name of N-[2-(ethylamino)-5-nitrophenyl]propanamide (CID 71408638) is N-[2-(ethylamino)-5-nitrophenyl]propanamide.
What is the SMILES notation for N-[2-(ethylamino)-5-nitrophenyl]propanamide?
The canonical SMILES for N-[2-(ethylamino)-5-nitrophenyl]propanamide is CCNc1ccc([N+](=O)[O-])cc1NC(=O)CC.
What is the InChIKey of N-[2-(ethylamino)-5-nitrophenyl]propanamide?
The InChIKey is TUEHMRZNPBWKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-11(15)13-10-7-8(14(16)17)5-6-9(10)12-4-2/h5-7,12H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(ethylamino)-5-nitrophenyl]propanamide?
N-[2-(ethylamino)-5-nitrophenyl]propanamide has a molecular weight of 237.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-5-nitrophenyl]propanamide is sourced from PubChem (CID 71408638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).