N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

C30H29N3O4 — CID 142337904

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCOCCOc1cccc(CNC(=O)c2cccc(CNC(=O)c3ccc(-c4ccncc4)cc3)c2)c1
InChIInChI=1S/C30H29N3O4/c1-36-16-17-37-28-7-3-5-23(19-28)21-33-30(35)27-6-2-4-22(18-27)20-32-29(34)26-10-8-24(9-11-26)25-12-14-31-15-13-25/h2-15,18-19H,16-17,20-21H2,1H3,(H,32,34)(H,33,35)
InChIKeyZFNLGQXWVVSDRX-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.63
Rot. Bonds11

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (PubChem CID 142337904) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
PubChem CID142337904
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCOCCOc1cccc(CNC(=O)c2cccc(CNC(=O)c3ccc(-c4ccncc4)cc3)c2)c1
InChIInChI=1S/C30H29N3O4/c1-36-16-17-37-28-7-3-5-23(19-28)21-33-30(35)27-6-2-4-22(18-27)20-32-29(34)26-10-8-24(9-11-26)25-12-14-31-15-13-25/h2-15,18-19H,16-17,20-21H2,1H3,(H,32,34)(H,33,35)
InChIKeyZFNLGQXWVVSDRX-UHFFFAOYSA-N
XLogP4.63
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
CID 142337828
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (CID 142337904) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is COCCOc1cccc(CNC(=O)c2cccc(CNC(=O)c3ccc(-c4ccncc4)cc3)c2)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The InChIKey is ZFNLGQXWVVSDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-36-16-17-37-28-7-3-5-23(19-28)21-33-30(35)27-6-2-4-22(18-27)20-32-29(34)26-10-8-24(9-11-26)25-12-14-31-15-13-25/h2-15,18-19H,16-17,20-21H2,1H3,(H,32,34)(H,33,35).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 142337904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).