N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide

C23H31N3O3 — CID 154663728

IUPACN-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-3-4-5-6-7-8-9-23(27)25-21-14-12-20(13-15-21)24-18-19-10-16-22(17-11-19)26(28)29/h10-17,24H,2-9,18H2,1H3,(H,25,27)
InChIKeyAPVOVRXYEFSHBI-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.29
Rot. Bonds13

About N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide

N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide (PubChem CID 154663728) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
PubChem CID154663728
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-3-4-5-6-7-8-9-23(27)25-21-14-12-20(13-15-21)24-18-19-10-16-22(17-11-19)26(28)29/h10-17,24H,2-9,18H2,1H3,(H,25,27)
InChIKeyAPVOVRXYEFSHBI-UHFFFAOYSA-N
XLogP6.29
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
molecular hydrogen;N-[4-(pyridin-4-ylmethylamino)phenyl]octanamide
CID 154663589
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
N-(4-heptylphenyl)heptanamide
CID 101077737
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide?
The IUPAC name of N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide (CID 154663728) is N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide.
What is the SMILES notation for N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide?
The canonical SMILES for N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide?
The InChIKey is APVOVRXYEFSHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-2-3-4-5-6-7-8-9-23(27)25-21-14-12-20(13-15-21)24-18-19-10-16-22(17-11-19)26(28)29/h10-17,24H,2-9,18H2,1H3,(H,25,27).
What are the key properties of N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide?
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide has a molecular weight of 397.52 g/mol, XLogP of 6.29, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide is sourced from PubChem (CID 154663728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).