N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C26H32N2O3 — CID 37267231

IUPACN-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccncc1
InChIInChI=1S/C26H32N2O3/c1-2-30-24-12-22(3-4-23(24)31-16-18-5-7-27-8-6-18)25(29)28-17-26-13-19-9-20(14-26)11-21(10-19)15-26/h3-8,12,19-21H,2,9-11,13-17H2,1H3,(H,28,29)
InChIKeyMQEZKEQJQMFWLX-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.01
Rot. Bonds8

About N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 37267231) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID37267231
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccncc1
InChIInChI=1S/C26H32N2O3/c1-2-30-24-12-22(3-4-23(24)31-16-18-5-7-27-8-6-18)25(29)28-17-26-13-19-9-20(14-26)11-21(10-19)15-26/h3-8,12,19-21H,2,9-11,13-17H2,1H3,(H,28,29)
InChIKeyMQEZKEQJQMFWLX-UHFFFAOYSA-N
XLogP5.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
1-(1-adamantylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108870429
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43066584
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 86972106
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 32869689
4-methoxy-N-[(1-methoxycyclohexyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 91648934
N-[2-(3-bromophenoxy)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55976654
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55557389

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 37267231) is N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccncc1.
What is the InChIKey of N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is MQEZKEQJQMFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-2-30-24-12-22(3-4-23(24)31-16-18-5-7-27-8-6-18)25(29)28-17-26-13-19-9-20(14-26)11-21(10-19)15-26/h3-8,12,19-21H,2,9-11,13-17H2,1H3,(H,28,29).
What are the key properties of N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 420.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 37267231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).