N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide

C29H35N3O6 — CID 29087589

IUPACN-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccncc1)Cc1cc(OC)c(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C29H35N3O6/c1-34-25-7-5-4-6-24(25)29(33)32(20-22-8-10-30-11-9-22)21-23-18-26(35-2)28(27(19-23)36-3)38-17-14-31-12-15-37-16-13-31/h4-11,18-19H,12-17,20-21H2,1-3H3
InChIKeyDQVLKTPEEKTYSG-UHFFFAOYSA-N
MW521.61 g/mol
LogP3.66
Rot. Bonds12

About N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide

N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 29087589) has the molecular formula C29H35N3O6 and a molecular weight of 521.61 g/mol. Its IUPAC name is N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID29087589
Molecular FormulaC29H35N3O6
Molecular Weight521.61 g/mol
Exact Mass521.25
IUPAC NameN-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccncc1)Cc1cc(OC)c(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C29H35N3O6/c1-34-25-7-5-4-6-24(25)29(33)32(20-22-8-10-30-11-9-22)21-23-18-26(35-2)28(27(19-23)36-3)38-17-14-31-12-15-37-16-13-31/h4-11,18-19H,12-17,20-21H2,1-3H3
InChIKeyDQVLKTPEEKTYSG-UHFFFAOYSA-N
XLogP3.66
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.61
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide with MolForge

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Related Compounds

[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 42381836
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide (CID 29087589) is N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide is COc1ccccc1C(=O)N(Cc1ccncc1)Cc1cc(OC)c(OCCN2CCOCC2)c(OC)c1.
What is the InChIKey of N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is DQVLKTPEEKTYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O6/c1-34-25-7-5-4-6-24(25)29(33)32(20-22-8-10-30-11-9-22)21-23-18-26(35-2)28(27(19-23)36-3)38-17-14-31-12-15-37-16-13-31/h4-11,18-19H,12-17,20-21H2,1-3H3.
What are the key properties of N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide?
N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 521.61 g/mol, XLogP of 3.66, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 29087589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).