ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide

C26H33N3O — CID 143585741

IUPACethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide
SMILESCCCC(CC)NC(=O)c1cccc(Nc2ccncc2)c1.CCc1ccccc1
InChIInChI=1S/C18H23N3O.C8H10/c1-3-6-15(4-2)21-18(22)14-7-5-8-17(13-14)20-16-9-11-19-12-10-16;1-2-8-6-4-3-5-7-8/h5,7-13,15H,3-4,6H2,1-2H3,(H,19,20)(H,21,22);3-7H,2H2,1H3
InChIKeyWRAFCAZVANNOKQ-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.38
Rot. Bonds8

About ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide

ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide (PubChem CID 143585741) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide.

Molecular Properties

Compound Nameethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide
PubChem CID143585741
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Nameethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide
SMILESCCCC(CC)NC(=O)c1cccc(Nc2ccncc2)c1.CCc1ccccc1
InChIInChI=1S/C18H23N3O.C8H10/c1-3-6-15(4-2)21-18(22)14-7-5-8-17(13-14)20-16-9-11-19-12-10-16;1-2-8-6-4-3-5-7-8/h5,7-13,15H,3-4,6H2,1-2H3,(H,19,20)(H,21,22);3-7H,2H2,1H3
InChIKeyWRAFCAZVANNOKQ-UHFFFAOYSA-N
XLogP6.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
CID 143301248
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
N-hexan-3-yl-3-(4-hydroxybut-1-ynyl)benzamide
CID 62093118
N-hexan-3-yl-2-phenylacetamide
CID 129166933
[(Z)-but-2-enyl] 3-(pyridin-4-ylamino)benzoate
CID 143301176
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide?
The IUPAC name of ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide (CID 143585741) is ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide.
What is the SMILES notation for ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide?
The canonical SMILES for ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide is CCCC(CC)NC(=O)c1cccc(Nc2ccncc2)c1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide?
The InChIKey is WRAFCAZVANNOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.C8H10/c1-3-6-15(4-2)21-18(22)14-7-5-8-17(13-14)20-16-9-11-19-12-10-16;1-2-8-6-4-3-5-7-8/h5,7-13,15H,3-4,6H2,1-2H3,(H,19,20)(H,21,22);3-7H,2H2,1H3.
What are the key properties of ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide?
ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide has a molecular weight of 403.57 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;N-hexan-3-yl-3-(pyridin-4-ylamino)benzamide is sourced from PubChem (CID 143585741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).