N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C27H33N3O3 — CID 43054762

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(CN(CC)CC)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C27H33N3O3/c1-4-30(5-2)19-22-9-7-21(8-10-22)18-29-27(31)24-11-12-25(26(17-24)32-6-3)33-20-23-13-15-28-16-14-23/h7-17H,4-6,18-20H2,1-3H3,(H,29,31)
InChIKeyIURCCXYVDDWVNK-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.83
Rot. Bonds12

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 43054762) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID43054762
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(CN(CC)CC)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C27H33N3O3/c1-4-30(5-2)19-22-9-7-21(8-10-22)18-29-27(31)24-11-12-25(26(17-24)32-6-3)33-20-23-13-15-28-16-14-23/h7-17H,4-6,18-20H2,1-3H3,(H,29,31)
InChIKeyIURCCXYVDDWVNK-UHFFFAOYSA-N
XLogP4.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30838230
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 43054762) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NCc2ccc(CN(CC)CC)cc2)ccc1OCc1ccncc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is IURCCXYVDDWVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-30(5-2)19-22-9-7-21(8-10-22)18-29-27(31)24-11-12-25(26(17-24)32-6-3)33-20-23-13-15-28-16-14-23/h7-17H,4-6,18-20H2,1-3H3,(H,29,31).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 447.58 g/mol, XLogP of 4.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 43054762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).