N-(2-amino-4-nitrophenyl)undec-10-enamide

C17H25N3O3 — CID 42604662

IUPACN-(2-amino-4-nitrophenyl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C17H25N3O3/c1-2-3-4-5-6-7-8-9-10-17(21)19-16-12-11-14(20(22)23)13-15(16)18/h2,11-13H,1,3-10,18H2,(H,19,21)
InChIKeyDMBSXRLDJADPOB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.42
Rot. Bonds11

About N-(2-amino-4-nitrophenyl)undec-10-enamide

N-(2-amino-4-nitrophenyl)undec-10-enamide (PubChem CID 42604662) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-amino-4-nitrophenyl)undec-10-enamide.

Molecular Properties

Compound NameN-(2-amino-4-nitrophenyl)undec-10-enamide
PubChem CID42604662
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(2-amino-4-nitrophenyl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C17H25N3O3/c1-2-3-4-5-6-7-8-9-10-17(21)19-16-12-11-14(20(22)23)13-15(16)18/h2,11-13H,1,3-10,18H2,(H,19,21)
InChIKeyDMBSXRLDJADPOB-UHFFFAOYSA-N
XLogP4.42
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
6-(2-cyano-4-nitroanilino)-6-oxohexanoic acid
CID 60941407
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-nitrophenyl)undec-10-enamide?
The IUPAC name of N-(2-amino-4-nitrophenyl)undec-10-enamide (CID 42604662) is N-(2-amino-4-nitrophenyl)undec-10-enamide.
What is the SMILES notation for N-(2-amino-4-nitrophenyl)undec-10-enamide?
The canonical SMILES for N-(2-amino-4-nitrophenyl)undec-10-enamide is C=CCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of N-(2-amino-4-nitrophenyl)undec-10-enamide?
The InChIKey is DMBSXRLDJADPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-3-4-5-6-7-8-9-10-17(21)19-16-12-11-14(20(22)23)13-15(16)18/h2,11-13H,1,3-10,18H2,(H,19,21).
What are the key properties of N-(2-amino-4-nitrophenyl)undec-10-enamide?
N-(2-amino-4-nitrophenyl)undec-10-enamide has a molecular weight of 319.41 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-nitrophenyl)undec-10-enamide is sourced from PubChem (CID 42604662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).