3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide

C23H32N2O3 — CID 55557389

IUPAC3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC(C)CCCC(C)C)ccc1OCc1ccncc1
InChIInChI=1S/C23H32N2O3/c1-5-27-22-15-20(23(26)25-18(4)8-6-7-17(2)3)9-10-21(22)28-16-19-11-13-24-14-12-19/h9-15,17-18H,5-8,16H2,1-4H3,(H,25,26)
InChIKeyDHUDDNLCAWGKJH-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.00
Rot. Bonds11

About 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 55557389) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID55557389
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC(C)CCCC(C)C)ccc1OCc1ccncc1
InChIInChI=1S/C23H32N2O3/c1-5-27-22-15-20(23(26)25-18(4)8-6-7-17(2)3)9-10-21(22)28-16-19-11-13-24-14-12-19/h9-15,17-18H,5-8,16H2,1-4H3,(H,25,26)
InChIKeyDHUDDNLCAWGKJH-UHFFFAOYSA-N
XLogP5.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46480603
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43066584
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
4-bromo-N'-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 39641079
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide (CID 55557389) is 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NC(C)CCCC(C)C)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is DHUDDNLCAWGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-5-27-22-15-20(23(26)25-18(4)8-6-7-17(2)3)9-10-21(22)28-16-19-11-13-24-14-12-19/h9-15,17-18H,5-8,16H2,1-4H3,(H,25,26).
What are the key properties of 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 384.52 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 55557389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).