N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide

C27H23NO4 — CID 87962313

IUPACN-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide
SMILESC#CCOc1ccc(-c2ccccc2NC(=O)C(OCC#C)c2ccccc2)cc1OC
InChIInChI=1S/C27H23NO4/c1-4-17-31-24-16-15-21(19-25(24)30-3)22-13-9-10-14-23(22)28-27(29)26(32-18-5-2)20-11-7-6-8-12-20/h1-2,6-16,19,26H,17-18H2,3H3,(H,28,29)
InChIKeyDQXNYGDAJKZEJK-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.70
Rot. Bonds9

About N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide

N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide (PubChem CID 87962313) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide
PubChem CID87962313
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC NameN-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide
SMILESC#CCOc1ccc(-c2ccccc2NC(=O)C(OCC#C)c2ccccc2)cc1OC
InChIInChI=1S/C27H23NO4/c1-4-17-31-24-16-15-21(19-25(24)30-3)22-13-9-10-14-23(22)28-27(29)26(32-18-5-2)20-11-7-6-8-12-20/h1-2,6-16,19,26H,17-18H2,3H3,(H,28,29)
InChIKeyDQXNYGDAJKZEJK-UHFFFAOYSA-N
XLogP4.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfonylamino)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-3-methylbutanamide
CID 72803100
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyacetamide
CID 23446818
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 11292824
2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 23446801
2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide
CID 142702321
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-phenylmethoxyphenoxy)ethyl]-2-prop-2-ynoxyacetamide
CID 142702303
N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide
CID 142702272
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenyl-2-prop-2-ynoxypropanamide
CID 87498828
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 87258388
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyethanethioamide
CID 87905848
(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 135290044

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide?
The IUPAC name of N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide (CID 87962313) is N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide.
What is the SMILES notation for N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide?
The canonical SMILES for N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide is C#CCOc1ccc(-c2ccccc2NC(=O)C(OCC#C)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide?
The InChIKey is DQXNYGDAJKZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-4-17-31-24-16-15-21(19-25(24)30-3)22-13-9-10-14-23(22)28-27(29)26(32-18-5-2)20-11-7-6-8-12-20/h1-2,6-16,19,26H,17-18H2,3H3,(H,28,29).
What are the key properties of N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide?
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide has a molecular weight of 425.48 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)phenyl]-2-phenyl-2-prop-2-ynoxyacetamide is sourced from PubChem (CID 87962313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).