7-(N-(4-nitrophenyl)anilino)heptan-1-ol

C19H24N2O3 — CID 15706930

IUPAC7-(N-(4-nitrophenyl)anilino)heptan-1-ol
SMILESO=[N+]([O-])c1ccc(N(CCCCCCCO)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c22-16-8-3-1-2-7-15-20(17-9-5-4-6-10-17)18-11-13-19(14-12-18)21(23)24/h4-6,9-14,22H,1-3,7-8,15-16H2
InChIKeyOOPUCQBDMKLTIM-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.68
Rot. Bonds10

About 7-(N-(4-nitrophenyl)anilino)heptan-1-ol

7-(N-(4-nitrophenyl)anilino)heptan-1-ol (PubChem CID 15706930) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 7-(N-(4-nitrophenyl)anilino)heptan-1-ol.

Molecular Properties

Compound Name7-(N-(4-nitrophenyl)anilino)heptan-1-ol
PubChem CID15706930
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name7-(N-(4-nitrophenyl)anilino)heptan-1-ol
SMILESO=[N+]([O-])c1ccc(N(CCCCCCCO)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c22-16-8-3-1-2-7-15-20(17-9-5-4-6-10-17)18-11-13-19(14-12-18)21(23)24/h4-6,9-14,22H,1-3,7-8,15-16H2
InChIKeyOOPUCQBDMKLTIM-UHFFFAOYSA-N
XLogP4.68
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
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

2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
methyl 2-(N-(4-nitrophenyl)anilino)acetate
CID 54362794
5-(4-nitrophenyl)sulfonylpentan-1-ol
CID 54361734
(Z)-hydroxyimino-[5-(N-(4-methoxyphenyl)-4-nitroanilino)pentyl]-oxidoazanium
CID 135425218
N-methyl-4-nitro-N-phenylaniline
CID 11287619
N-(8-chlorooctyl)-N-phenylaniline
CID 10852868
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
N-butyl-N-(4-nitrophenyl)pyridin-4-amine
CID 125493735
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol;nitrobenzene
CID 90851100
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
N-hexyl-N-methyl-4-nitroaniline
CID 10799823

Frequently Asked Questions

What is the IUPAC name of 7-(N-(4-nitrophenyl)anilino)heptan-1-ol?
The IUPAC name of 7-(N-(4-nitrophenyl)anilino)heptan-1-ol (CID 15706930) is 7-(N-(4-nitrophenyl)anilino)heptan-1-ol.
What is the SMILES notation for 7-(N-(4-nitrophenyl)anilino)heptan-1-ol?
The canonical SMILES for 7-(N-(4-nitrophenyl)anilino)heptan-1-ol is O=[N+]([O-])c1ccc(N(CCCCCCCO)c2ccccc2)cc1.
What is the InChIKey of 7-(N-(4-nitrophenyl)anilino)heptan-1-ol?
The InChIKey is OOPUCQBDMKLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-16-8-3-1-2-7-15-20(17-9-5-4-6-10-17)18-11-13-19(14-12-18)21(23)24/h4-6,9-14,22H,1-3,7-8,15-16H2.
What are the key properties of 7-(N-(4-nitrophenyl)anilino)heptan-1-ol?
7-(N-(4-nitrophenyl)anilino)heptan-1-ol has a molecular weight of 328.41 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-(4-nitrophenyl)anilino)heptan-1-ol is sourced from PubChem (CID 15706930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).