N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide

C13H17N3O4 — CID 47112942

IUPACN-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
SMILESCCNC(=O)C(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O4/c1-3-14-13(18)9(2)15-12(17)8-10-4-6-11(7-5-10)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyMQCYPBFNHRLEJK-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.78
Rot. Bonds6

About N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide

N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide (PubChem CID 47112942) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
PubChem CID47112942
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
SMILESCCNC(=O)C(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O4/c1-3-14-13(18)9(2)15-12(17)8-10-4-6-11(7-5-10)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyMQCYPBFNHRLEJK-UHFFFAOYSA-N
XLogP0.78
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.78
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-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
N-(4-methylpent-1-yn-3-yl)-2-(4-nitrophenyl)acetamide
CID 114202473
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-nitrophenyl)acetamide
CID 79247463
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
(2S)-2-[[2-(4-nitrophenyl)acetyl]amino]hexanoic acid
CID 107143905
(2S)-2-[[2-(4-nitrophenyl)acetyl]amino]butanedioic acid
CID 71404929
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
N-(3-hydroxy-2-methylpropyl)-2-(4-nitrophenyl)acetamide
CID 65032219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide (CID 47112942) is N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide is CCNC(=O)C(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
The InChIKey is MQCYPBFNHRLEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-14-13(18)9(2)15-12(17)8-10-4-6-11(7-5-10)16(19)20/h4-7,9H,3,8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide has a molecular weight of 279.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 47112942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).