2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide

C24H24ClNO5 — CID 142702321

IUPAC2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide
SMILESC#CCOc1ccc(O[C@H](C)CNC(=O)C(OCC#C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H24ClNO5/c1-5-13-29-21-12-11-20(15-22(21)28-4)31-17(3)16-26-24(27)23(30-14-6-2)18-7-9-19(25)10-8-18/h1-2,7-12,15,17,23H,13-14,16H2,3-4H3,(H,26,27)/t17-,23?/m1/s1
InChIKeyPWKIBNOQDQDWJW-LIXIDFRTSA-N
MW441.91 g/mol
LogP3.64
Rot. Bonds11

About 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide

2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide (PubChem CID 142702321) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide
PubChem CID142702321
Molecular FormulaC24H24ClNO5
Molecular Weight441.91 g/mol
Exact Mass441.13
IUPAC Name2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide
SMILESC#CCOc1ccc(O[C@H](C)CNC(=O)C(OCC#C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H24ClNO5/c1-5-13-29-21-12-11-20(15-22(21)28-4)31-17(3)16-26-24(27)23(30-14-6-2)18-7-9-19(25)10-8-18/h1-2,7-12,15,17,23H,13-14,16H2,3-4H3,(H,26,27)/t17-,23?/m1/s1
InChIKeyPWKIBNOQDQDWJW-LIXIDFRTSA-N
XLogP3.64
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
CID 11292824
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
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyanilino)ethyl]-2-prop-2-ynoxyacetamide
CID 142702312
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-propan-2-yloxyacetamide
CID 45271214
2-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropoxy)-3-methoxyphenyl]ethyl]-2-prop-2-ynoxyacetamide
CID 139595354
(2S)-2-[(E)-but-2-enoxy]-2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]acetamide
CID 87960236
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;N-[2-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]ethyl]butanamide
CID 161495570
3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 11750051

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide (CID 142702321) is 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide is C#CCOc1ccc(O[C@H](C)CNC(=O)C(OCC#C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide?
The InChIKey is PWKIBNOQDQDWJW-LIXIDFRTSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-5-13-29-21-12-11-20(15-22(21)28-4)31-17(3)16-26-24(27)23(30-14-6-2)18-7-9-19(25)10-8-18/h1-2,7-12,15,17,23H,13-14,16H2,3-4H3,(H,26,27)/t17-,23?/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide?
2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide has a molecular weight of 441.91 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2R)-2-(3-methoxy-4-prop-2-ynoxyphenoxy)propyl]-2-prop-2-ynoxyacetamide is sourced from PubChem (CID 142702321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).