N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide

C25H27NO4 — CID 55748194

IUPACN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2ccccc2-c2ccccc2)cc1OC
InChIInChI=1S/C25H27NO4/c1-18(20-13-14-23(24(17-20)29-3)30-16-15-28-2)26-25(27)22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-14,17-18H,15-16H2,1-3H3,(H,26,27)
InChIKeyFBQOSFREQRBEGA-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.88
Rot. Bonds9

About N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide (PubChem CID 55748194) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
PubChem CID55748194
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2ccccc2-c2ccccc2)cc1OC
InChIInChI=1S/C25H27NO4/c1-18(20-13-14-23(24(17-20)29-3)30-16-15-28-2)26-25(27)22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-14,17-18H,15-16H2,1-3H3,(H,26,27)
InChIKeyFBQOSFREQRBEGA-UHFFFAOYSA-N
XLogP4.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55797489
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
1-benzyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]indole-3-carboxamide
CID 55972027
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide (CID 55748194) is N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide is COCCOc1ccc(C(C)NC(=O)c2ccccc2-c2ccccc2)cc1OC.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide?
The InChIKey is FBQOSFREQRBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-18(20-13-14-23(24(17-20)29-3)30-16-15-28-2)26-25(27)22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-14,17-18H,15-16H2,1-3H3,(H,26,27).
What are the key properties of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide?
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide has a molecular weight of 405.49 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide is sourced from PubChem (CID 55748194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).