N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C28H35N3O4 — CID 55715428

IUPACN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccccc2OCCN(CC)CC)ccc1OCc1cccnc1
InChIInChI=1S/C28H35N3O4/c1-4-31(5-2)16-17-34-25-12-8-7-11-24(25)20-30-28(32)23-13-14-26(27(18-23)33-6-3)35-21-22-10-9-15-29-19-22/h7-15,18-19H,4-6,16-17,20-21H2,1-3H3,(H,30,32)
InChIKeyKLQLVYRPANAWOQ-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.71
Rot. Bonds14

About N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55715428) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55715428
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccccc2OCCN(CC)CC)ccc1OCc1cccnc1
InChIInChI=1S/C28H35N3O4/c1-4-31(5-2)16-17-34-25-12-8-7-11-24(25)20-30-28(32)23-13-14-26(27(18-23)33-6-3)35-21-22-10-9-15-29-19-22/h7-15,18-19H,4-6,16-17,20-21H2,1-3H3,(H,30,32)
InChIKeyKLQLVYRPANAWOQ-UHFFFAOYSA-N
XLogP4.71
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39124709
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37298392
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 55715428) is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCc2ccccc2OCCN(CC)CC)ccc1OCc1cccnc1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is KLQLVYRPANAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-4-31(5-2)16-17-34-25-12-8-7-11-24(25)20-30-28(32)23-13-14-26(27(18-23)33-6-3)35-21-22-10-9-15-29-19-22/h7-15,18-19H,4-6,16-17,20-21H2,1-3H3,(H,30,32).
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 477.61 g/mol, XLogP of 4.71, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55715428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).