N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide

C26H29NO5 — CID 142702272

IUPACN-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide
SMILESC#CCOc1ccc(OCCNC(=O)C(OCC#C)c2ccc(CCC)cc2)cc1OC
InChIInChI=1S/C26H29NO5/c1-5-8-20-9-11-21(12-10-20)25(32-17-7-3)26(28)27-15-18-30-22-13-14-23(31-16-6-2)24(19-22)29-4/h2-3,9-14,19,25H,5,8,15-18H2,1,4H3,(H,27,28)
InChIKeyGGOGUGCNSHRSBJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.55
Rot. Bonds13

About N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide

N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide (PubChem CID 142702272) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide
PubChem CID142702272
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC NameN-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide
SMILESC#CCOc1ccc(OCCNC(=O)C(OCC#C)c2ccc(CCC)cc2)cc1OC
InChIInChI=1S/C26H29NO5/c1-5-8-20-9-11-21(12-10-20)25(32-17-7-3)26(28)27-15-18-30-22-13-14-23(31-16-6-2)24(19-22)29-4/h2-3,9-14,19,25H,5,8,15-18H2,1,4H3,(H,27,28)
InChIKeyGGOGUGCNSHRSBJ-UHFFFAOYSA-N
XLogP3.55
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-[(4-propylphenoxy)methyl]pent-4-ynamide
CID 142702384
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-phenylmethoxyphenoxy)ethyl]-2-prop-2-ynoxyacetamide
CID 142702303
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyacetamide
CID 23446818
2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 23446801
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 11292824
2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide
CID 142702321
2-(4-bromophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]acetamide
CID 142702319
2-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropoxy)-3-methoxyphenyl]ethyl]-2-prop-2-ynoxyacetamide
CID 139595354
2-(4-chlorophenyl)-N-[2-(2-fluoro-4,5-dimethoxyphenoxy)ethyl]-2-prop-2-ynoxyacetamide
CID 142702362
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide;N-[2-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]ethyl]butanamide
CID 161495570
3-(4-bromophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]propanamide
CID 142702302
(2S)-2-[(E)-but-2-enoxy]-2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]acetamide
CID 87960236

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide?
The IUPAC name of N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide (CID 142702272) is N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide.
What is the SMILES notation for N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide?
The canonical SMILES for N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide is C#CCOc1ccc(OCCNC(=O)C(OCC#C)c2ccc(CCC)cc2)cc1OC.
What is the InChIKey of N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide?
The InChIKey is GGOGUGCNSHRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-5-8-20-9-11-21(12-10-20)25(32-17-7-3)26(28)27-15-18-30-22-13-14-23(31-16-6-2)24(19-22)29-4/h2-3,9-14,19,25H,5,8,15-18H2,1,4H3,(H,27,28).
What are the key properties of N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide?
N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide has a molecular weight of 435.52 g/mol, XLogP of 3.55, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-4-prop-2-ynoxyphenoxy)ethyl]-2-(4-propylphenyl)-2-prop-2-ynoxyacetamide is sourced from PubChem (CID 142702272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).