N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C25H34N2O4 — CID 86972106

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2CCCOC2C(C)(C)C)ccc1OCc1ccncc1
InChIInChI=1S/C25H34N2O4/c1-5-29-22-15-19(8-9-21(22)31-17-18-10-12-26-13-11-18)24(28)27-16-20-7-6-14-30-23(20)25(2,3)4/h8-13,15,20,23H,5-7,14,16-17H2,1-4H3,(H,27,28)
InChIKeySWRVYIFOVYYGIF-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.63
Rot. Bonds8

About N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 86972106) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID86972106
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2CCCOC2C(C)(C)C)ccc1OCc1ccncc1
InChIInChI=1S/C25H34N2O4/c1-5-29-22-15-19(8-9-21(22)31-17-18-10-12-26-13-11-18)24(28)27-16-20-7-6-14-30-23(20)25(2,3)4/h8-13,15,20,23H,5-7,14,16-17H2,1-4H3,(H,27,28)
InChIKeySWRVYIFOVYYGIF-UHFFFAOYSA-N
XLogP4.63
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2R,3R)-2-tert-butyloxan-3-yl]methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 125153084
2-[4-[(2-tert-butyloxan-3-yl)methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119186015
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838786
3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55814883
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 32869689
3,4-diethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108808

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 86972106) is N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC2CCCOC2C(C)(C)C)ccc1OCc1ccncc1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is SWRVYIFOVYYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-5-29-22-15-19(8-9-21(22)31-17-18-10-12-26-13-11-18)24(28)27-16-20-7-6-14-30-23(20)25(2,3)4/h8-13,15,20,23H,5-7,14,16-17H2,1-4H3,(H,27,28).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 86972106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).