(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide

C25H27NO5 — CID 87258755

IUPAC(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(C)cc2)OCC#C)cc1OC
InChIInChI=1S/C25H27NO5/c1-5-15-29-22-12-9-20(17-23(22)28-4)13-14-26-25(27)24(30-16-6-2)18-31-21-10-7-19(3)8-11-21/h1-2,7-12,17,24H,13-16,18H2,3-4H3,(H,26,27)/t24-/m1/s1
InChIKeyBKDSGFUYSZGWLE-XMMPIXPASA-N
MW421.49 g/mol
LogP2.77
Rot. Bonds12

About (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide

(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide (PubChem CID 87258755) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide
PubChem CID87258755
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide
SMILESC#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(C)cc2)OCC#C)cc1OC
InChIInChI=1S/C25H27NO5/c1-5-15-29-22-12-9-20(17-23(22)28-4)13-14-26-25(27)24(30-16-6-2)18-31-21-10-7-19(3)8-11-21/h1-2,7-12,17,24H,13-16,18H2,3-4H3,(H,26,27)/t24-/m1/s1
InChIKeyBKDSGFUYSZGWLE-XMMPIXPASA-N
XLogP2.77
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenyl)-2-prop-2-ynoxypropanamide
CID 87498581
(2S)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenyl)-2-prop-2-ynoxypropanamide
CID 87499700
(2R)-3-(4-chlorophenoxy)-2-ethoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258614
(2S)-3-(4-ethylphenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258745
3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87258575
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyacetamide
CID 23446818
3-(4-chlorophenoxy)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-prop-2-ynoxypropanamide
CID 152565118
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-phenyl-2-prop-2-ynoxypropanamide
CID 87498828
3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 11750051
(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
CID 142673390
(2S)-2-ethoxy-3-(4-ethylphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87499671
N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)-2-prop-2-ynoxyethanethioamide
CID 87905848

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide?
The IUPAC name of (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide (CID 87258755) is (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide.
What is the SMILES notation for (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide?
The canonical SMILES for (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide is C#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(C)cc2)OCC#C)cc1OC.
What is the InChIKey of (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide?
The InChIKey is BKDSGFUYSZGWLE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27NO5/c1-5-15-29-22-12-9-20(17-23(22)28-4)13-14-26-25(27)24(30-16-6-2)18-31-21-10-7-19(3)8-11-21/h1-2,7-12,17,24H,13-16,18H2,3-4H3,(H,26,27)/t24-/m1/s1.
What are the key properties of (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide?
(2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide has a molecular weight of 421.49 g/mol, XLogP of 2.77, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-3-(4-methylphenoxy)-2-prop-2-ynoxypropanamide is sourced from PubChem (CID 87258755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).